(S)-(+)-6-Methyl-1-octanol
PubChem CID: 13548104
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| Compound Synonyms | 110453-78-6, (S)-(+)-6-Methyl-1-octanol, (S)-6-methyloctan-1-ol, (6S)-6-methyloctan-1-ol, 1-Octanol, 6-methyl-,(6S)-, 1-Octanol, 6-methyl-, (S)-, (S)-6-Methyl-1-octanol, MFCD00221493, 6-Methyl-1-octanol #, (6S)-6-Methyl-1-octanol, (6s)-6-meth-yloctan-1-ol, SCHEMBL4288193, CHEBI:83010, DTXSID70543499, AKOS006343463, AKOS015840005, FM60302, M0966, T71591, Q27156553 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 61.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6S)-6-methyloctan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C9H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | WWRGKAMABZHMCN-VIFPVBQESA-N |
| Fcsp3 | 1.0 |
| Logs | -2.304 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.028 |
| Compound Name | (S)-(+)-6-Methyl-1-octanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 144.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 144.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 144.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3606996000000002 |
| Inchi | InChI=1S/C9H20O/c1-3-9(2)7-5-4-6-8-10/h9-10H,3-8H2,1-2H3/t9-/m0/s1 |
| Smiles | CC[C@H](C)CCCCCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chimonanthus Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients