(S)-(+)-6-Methyl-5-hepten-2-OL
PubChem CID: 6971127
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| Compound Synonyms | 58917-26-3, (S)-(+)-6-METHYL-5-HEPTEN-2-OL, (S)-6-Methylhept-5-en-2-ol, (2S)-6-methylhept-5-en-2-ol, S-sulcatol, (s)-sulcatol, (+)-Sulcatol, 5-Hepten-2-ol, 6-methyl-, (2S)-, (2S)-6-Methyl-5-hepten-2-ol, Sulcatol, (S)-, (+)-(S)-Sulcatol, (S)-(+)-Sulcatol, 6-Methyl-5-hepten-2S-ol, KGF7VXG633, (+)-6-methyl-5-hepten-2-ol, (S)-6-Methyl-5-hepten-2-ol, (+)-2-Methylhept-2-en-6-ol, 5-Hepten-2-ol, 6-methyl-, (S)-, MFCD03093080, UNII-KGF7VXG633, SCHEMBL214608, CHEBI:195854, OHEFFKYYKJVVOX-QMMMGPOBSA-N, (S)-6-Methyl-hept-5-en-2-ol, LMFA05000470, AKOS017343754, AS-60358, G68658 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 90.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-6-methylhept-5-en-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C8H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | OHEFFKYYKJVVOX-QMMMGPOBSA-N |
| Fcsp3 | 0.75 |
| Logs | -1.767 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.025 |
| Compound Name | (S)-(+)-6-Methyl-5-hepten-2-OL |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 128.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 128.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.879633 |
| Inchi | InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3/t8-/m0/s1 |
| Smiles | C[C@@H](CCC=C(C)C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients