1-Diethoxyphosphorylhexane
PubChem CID: 85311
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| Compound Synonyms | 1-diethoxyphosphorylhexane, Diethyl hexylphosphonate, 16165-66-5, Hexylphosphonic acid diethyl ester, Phosphonic acid, hexyl-, diethyl ester, Phosphonic acid, P-hexyl-, diethyl ester, PAE(sub 6), BRN 1771540, AI3-18566, Diethyl (1-hexyl)phosphonate, 4-04-00-03560 (Beilstein Handbook Reference), SCHEMBL2150291, DTXSID60167209, VVUJWLDQIIFQHI-UHFFFAOYSA-N, hexyl-phosphonic acid diethyl ester, Hexane phosphonic acid diethyl ester, MFCD00015140, AKOS017343265 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 161.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-diethoxyphosphorylhexane |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C10H23O3P |
| Prediction Swissadme | 0.0 |
| Inchi Key | VVUJWLDQIIFQHI-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.074 |
| Rotatable Bond Count | 9.0 |
| Logd | 1.557 |
| Compound Name | 1-Diethoxyphosphorylhexane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.138 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.138 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 222.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2242429999999995 |
| Inchi | InChI=1S/C10H23O3P/c1-4-7-8-9-10-14(11,12-5-2)13-6-3/h4-10H2,1-3H3 |
| Smiles | CCCCCCP(=O)(OCC)OCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients