Mrv1572004191602452D          

 10  9  0  0  0  0            999 V2000
    1.4289   -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
    2.1434    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -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
  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
 10  8  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009651

> <DATABASE_NAME>
chemdb

> <SMILES>
CCOP(OCC)OCC

> <INCHI_IDENTIFIER>
InChI=1S/C6H15O3P/c1-4-7-10(8-5-2)9-6-3/h4-6H2,1-3H3

> <INCHI_KEY>
BDZBKCUKTQZUTL-UHFFFAOYSA-N

> <FORMULA>
C6H15O3P

> <MOLECULAR_WEIGHT>
166.157

> <EXACT_MASS>
166.075881341

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
17.41043641489698

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
triethyl phosphite

> <ALOGPS_LOGP>
1.45

> <JCHEM_LOGP>
1.9333999999999996

> <ALOGPS_LOGS>
-0.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.1265334643768773

> <JCHEM_POLAR_SURFACE_AREA>
27.69

> <JCHEM_REFRACTIVITY>
42.2225

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.85e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
triethyl phosphite

> <JCHEM_VEBER_RULE>
1

> <NAME>
Phosphorous acid, triethyl ester

> <CAS>
122-52-1

> <SYNONYMS>
triethyl phosphite; Triethyl phosphite

$$$$