Diisopropyl methylphosphonate
PubChem CID: 3073
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| Compound Synonyms | DIISOPROPYL METHYLPHOSPHONATE, 1445-75-6, Diisopropyl methanephosphonate, Bis(1-methylethyl) methylphosphonate, Phosphonic acid, P-methyl-, bis(1-methylethyl) ester, HSDB 6864, EINECS 215-896-0, Methylphosphonic acid bis(1-methylethyl)ester, METHYLPHOSPHONIC ACID DIISOPROPYL ESTER, 2-[methyl(propan-2-yloxy)phosphoryl]oxypropane, BRN 1761635, 56V3OG5DC7, DTXSID5024051, CHEBI:77325, Phosphonic acid, methyl-, bis(1-methylethyl) ester, Phosphonic acid, methyl-, diisopropyl ester, DTXCID304051, 4-04-00-03501 (Beilstein Handbook Reference), CAS-1445-75-6, p-Methyl-bis(1-Methylethyl) Ester Phosphonic acid, DIMP, UNII-56V3OG5DC7, Dimp (phosphonate), MFCD00015022, 2-[isopropoxy(methyl)phosphoryl]oxypropane, SCHEMBL472052, CHEMBL1232236, o,o-Diisopropyl methylphosphonate, Bis(1methylethyl) methylphosphonate, Tox21_201712, Tox21_300474, AKOS006229159, DB02127, methyl-phosphonic acid diisopropyl ester, NCGC00248074-01, NCGC00254262-01, NCGC00259261-01, Phosphonic acid, methyl, diisopropyl ester, DB-009689, Methylphosphonic acid bis(1methylethyl)ester, NS00015668, Phosphonic acid, methyl-, o,o-bis-isopropyl ester, Phosphonic acid, Pmethyl, bis(1methylethyl) ester, Phosphonic acid,p-methyl-,bis(1-methylethyl)ester, Q5276479, 215-896-0 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 140.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[methyl(propan-2-yloxy)phosphoryl]oxypropane |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C7H17O3P |
| Prediction Swissadme | 0.0 |
| Inchi Key | WOAFDHWYKSOANX-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.28 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.152 |
| Compound Name | Diisopropyl methylphosphonate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 180.092 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.092 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 180.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3420408000000001 |
| Inchi | InChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3 |
| Smiles | CC(C)OP(=O)(C)OC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all