Mrv1572004191603122D          

 34 33  0  0  0  0            999 V2000
    6.7322    5.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033    5.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -7.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -6.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4467   -6.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7322   -7.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5888    2.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -3.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033   -3.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033    2.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -4.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033   -4.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5888    1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -3.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5888   -3.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033    3.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -5.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0177   -5.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743    0.9948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -2.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5888   -2.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0177    3.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -6.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0177   -6.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743    0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -2.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -2.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0177    4.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7322   -6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -0.2427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -1.4802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -1.4802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -1.0677    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
 21 15  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
 24 18  1  0  0  0  0
 25 19  1  0  0  0  0
 26 20  1  0  0  0  0
 27 21  1  0  0  0  0
 28  1  1  0  0  0  0
 28  2  1  0  0  0  0
 28 22  1  0  0  0  0
 29  3  1  0  0  0  0
 29  4  1  0  0  0  0
 29 23  1  0  0  0  0
 30  5  1  0  0  0  0
 30  6  1  0  0  0  0
 30 24  1  0  0  0  0
 31 25  1  0  0  0  0
 32 26  1  0  0  0  0
 33 27  1  0  0  0  0
 34 31  1  0  0  0  0
 34 32  1  0  0  0  0
 34 33  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM011270

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)CCCCCCCOP(OCCCCCCCC(C)C)OCCCCCCCC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C30H63O3P/c1-28(2)22-16-10-7-13-19-25-31-34(32-26-20-14-8-11-17-23-29(3)4)33-27-21-15-9-12-18-24-30(5)6/h28-30H,7-27H2,1-6H3

> <INCHI_KEY>
QEDNBHNWMHJNAB-UHFFFAOYSA-N

> <FORMULA>
C30H63O3P

> <MOLECULAR_WEIGHT>
502.805

> <EXACT_MASS>
502.451482887

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
97

> <JCHEM_AVERAGE_POLARIZABILITY>
67.49818868338649

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tris(8-methylnonyl) phosphite

> <ALOGPS_LOGP>
9.82

> <JCHEM_LOGP>
11.464100000000002

> <ALOGPS_LOGS>
-7.86

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
0.0443383259106932

> <JCHEM_POLAR_SURFACE_AREA>
27.69

> <JCHEM_REFRACTIVITY>
152.25830000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
27

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.98e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tris(8-methylnonyl) phosphite

> <JCHEM_VEBER_RULE>
0

> <NAME>
Phosphorous acid, triisodecyl ester

> <CAS>
25448-25-3

> <SYNONYMS>
triisodecyl phosphite

$$$$