Methylpropanediol
PubChem CID: 75103
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| Compound Synonyms | 2-Methyl-1,3-propanediol, 2163-42-0, 2-Methylpropane-1,3-diol, methylpropanediol, 1,3-Propanediol, 2-methyl-, 1,3-Dihydroxy-2-methylpropane, N8F53B3R4R, .BETA.-HYDROXYISOBUTANOL, DTXSID3029231, Propane-1,3-diol, 2-methyl-, HSDB 7267, MP diol glycol, 2-Methyl-1,3-propandiol (b-Hydroxyisobutanol), MP Diol, 1,3-isobutanediol, MFCD00082586, 1,3Propanediol, 2methyl, 2-methypropan-1,3-diol, 2-methyl-1,3-propandiol, 2-methylpropan-1,3-diol, BETA-HYDROXYISOBUTANOL, UNII-N8F53B3R4R, 1,3-propanediol, 2-methyl, 2-methyl-propane-1,3-diol, DTXCID609231, METHYLPROPANEDIOL [INCI], CHEMBL3183047, QWGRWMMWNDWRQN-UHFFFAOYSA-, 2-Methyl-1,3-propanediol (MPO), 2-Methyl-1,3-propanediol, 99%, LESONEL FORMING FEMININE WASH, Tox21_200047, AKOS015856381, FM34459, SB83782, NCGC00248505-01, NCGC00257601-01, CAS-2163-42-0, 1,3-PROPANEDIOL, 2-METHYL-[HSDB], CS-0021060, M1114, NS00003931, 1,3-PROPANEDIOL, 2-METHYL- [HSDB], EN300-85197, D71170, 2-Methyl-1,3-propandiol (beta-Hydroxyisobutanol), Q27284705, F0001-0772, InChI=1/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3, 412-350-5, 606-809-0, 928-935-8 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 24.7 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylpropane-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | -0.3 |
| Molecular Formula | C4H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QWGRWMMWNDWRQN-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.964 |
| Rotatable Bond Count | 2.0 |
| Logd | -1.02 |
| Compound Name | Methylpropanediol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 90.0681 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 90.0681 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 90.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.4179563999999999 |
| Inchi | InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3 |
| Smiles | CC(CO)CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aloe Barbadensis (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients