Oxiranemethanol, 3-methyl-3-(4-methyl-3-pentenyl)-
PubChem CID: 530403
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| Compound Synonyms | 2,3-Epoxy-3,7-dimethyloct-6-enol, 50727-94-1, (2S,3S)-Epoxygeraniol, EINECS 256-740-1, Oxiranemethanol, 3-methyl-3-(4-methyl-3-pentenyl)-, [3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol, 82188-73-6, [3-METHYL-3-(4-METHYLPENT-3-EN-1-YL)OXIRAN-2-YL]METHANOL, trans-Linaloloxide, [3-Methyl-3-(4-methyl-3-pentenyl)-2-oxiranyl]methanol, racemic nerol oxide, ZAP6AZ2WW7, SCHEMBL310618, DTXSID40964970, HDA18873, AKOS015905963, 6-Octen-1-ol, 2,3-epoxy-3,7-dimethyl-, NS00058295, 3,7-DIMETHYL-2,3-EPOXY-6-OCTEN-1-OL, 3-Methyl-3-(4-methyl-3-penten-1-yl)-2-oxiranemethanol, [3-Methyl-3-(4-methyl-3-pentenyl)-2-oxiranyl]methanol #, [3-methyl-3-(4-methyl-pent-3-enyl)-oxiran-2-yl]-methanol, 2-Oxiranemethanol, 3-methyl-3-(4-methyl-3-penten-1-yl)- |
|---|---|
| Topological Polar Surface Area | 32.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 182.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C10H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RZRBXGPSHVAUQO-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.003 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.532 |
| Compound Name | Oxiranemethanol, 3-methyl-3-(4-methyl-3-pentenyl)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7655624 |
| Inchi | InChI=1S/C10H18O2/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,9,11H,4,6-7H2,1-3H3 |
| Smiles | CC(=CCCC1(C(O1)CO)C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ixora Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Rhodiola Crenulata (Plant) Rel Props:Source_db:cmaup_ingredients