Mrv1652306031607522D          

 22 21  0  0  0  0            999 V2000
    1.7605   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4763   -6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0638   -5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3638   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4763   -4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0638   -3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4763   -3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0638   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8888   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1908   -2.2539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4763   -1.8414    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  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 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 22 18  1  0  0  0  0
 22 19  1  0  0  0  0
 22 20  1  0  0  0  0
 22 21  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM044206

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCP(=O)(CCCCCC)CCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C20H43OP/c1-4-7-10-13-14-17-20-22(21,18-15-11-8-5-2)19-16-12-9-6-3/h4-20H2,1-3H3

> <INCHI_KEY>
XHRRUIJGMKIISX-UHFFFAOYSA-N

> <FORMULA>
C20H43OP

> <MOLECULAR_WEIGHT>
330.537

> <EXACT_MASS>
330.305153003

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
44.19952304569746

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-(dihexylphosphoryl)octane

> <ALOGPS_LOGP>
7.20

> <JCHEM_LOGP>
5.607729269

> <ALOGPS_LOGS>
-6.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.502608233530124

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
102.65919999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.40e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-(dihexylphosphoryl)octane

> <JCHEM_VEBER_RULE>
0

> <NAME>
Octyldihexylphosphine oxide

> <CAS>
31160-64-2

$$$$