2-Octen-1-ol, 3,7-dimethyl-
PubChem CID: 5365836
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| Compound Synonyms | 3,7-Dimethyloct-2-en-1-ol, 6,7-Dihydrogeraniol, 3,7-Dimethyl-2-octen-1-ol, 2-Octen-1-ol, 3,7-dimethyl-, EINECS 254-999-5, 1461-04-7, 2-Octen-1-ol, 3,7-dimethyl-, (2E)-, (E)-3,7-dimethyloct-2-en-1-ol, (2E)-3,7-dimethyl-2-octen-1-ol, SCHEMBL163911, N6QG55Z34F, (E)-3,7-Dimethyl-2-octenol, 3,7-Dimethyl-2-octenol, (E)-, (2E)-3,7-dimethyloct-2-en-1-ol, 2-Octen-1-ol, 3,7-dimethyl-, E, BS-51370, F76237, EN300-21740409, Z2583205813 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 114.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3,7-dimethyloct-2-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C10H20O |
| Prediction Swissadme | 1.0 |
| Inchi Key | JNAWJUOCXKIHHG-JXMROGBWSA-N |
| Fcsp3 | 0.8 |
| Logs | -3.247 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.521 |
| Compound Name | 2-Octen-1-ol, 3,7-dimethyl- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 156.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 156.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.5893677999999998 |
| Inchi | InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h7,9,11H,4-6,8H2,1-3H3/b10-7+ |
| Smiles | CC(C)CCC/C(=C/CO)/C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Litsea Cubeba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Piper Cubeba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all