Mrv1572004191602422D          

 13 12  0  0  0  0            999 V2000
   -0.7145   -0.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0934    2.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.6336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1914    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  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
 13 11  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009470

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)OP(OC(C)C)OC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C9H21O3P/c1-7(2)10-13(11-8(3)4)12-9(5)6/h7-9H,1-6H3

> <INCHI_KEY>
SJHCUXCOGGKFAI-UHFFFAOYSA-N

> <FORMULA>
C9H21O3P

> <MOLECULAR_WEIGHT>
208.238

> <EXACT_MASS>
208.122831534

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
22.82461363265958

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
tris(propan-2-yl) phosphite

> <ALOGPS_LOGP>
2.62

> <JCHEM_LOGP>
3.1727

> <ALOGPS_LOGS>
-1.95

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
1.010264721476652

> <JCHEM_POLAR_SURFACE_AREA>
27.69

> <JCHEM_REFRACTIVITY>
55.4789

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.35e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
triisopropyl phosphite

> <JCHEM_VEBER_RULE>
1

> <NAME>
Triisopropyl phosphite

> <CAS>
116-17-6

> <SYNONYMS>
Tripropan-2-yl phosphite; tris(propan-2-yl) phosphite

$$$$