(S)-3,7-Dimethyloctan-1-ol
PubChem CID: 6992239
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| Compound Synonyms | S-3,7-Dimethyl-1-octanol, 68680-98-8, (3S)-3,7-Dimethyloctan-1-Ol, (S)-3,7-Dimethyloctan-1-ol, (S)-3,7-Dimethyl-1-octanol, (s)-3,7-dimethyl-octan-1-ol, 1-Octanol, 3,7-dimethyl-, (S)-, MFCD00063216, (S)-Dihydrocitronellol, (S)-3,7-dimethyloctanol, SCHEMBL697037, (-)-3,7-Dimethyl-1-octanol, DTXSID80880726, 1-Octanol,3,7-dimethyl-,(3S)-, AKOS006275140, NS00096370, F72407, S-3,7-DIMETHYL-1-OCTANOL ---OPTICALLY ACTIVE, CLEAR LIQUID, PLEASANT ODOR, D20 0.83--- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 78.9 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S)-3,7-dimethyloctan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C10H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | PRNCMAKCNVRZFX-JTQLQIEISA-N |
| Fcsp3 | 1.0 |
| Logs | -3.104 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.707 |
| Compound Name | (S)-3,7-Dimethyloctan-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 158.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 158.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 158.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.724867 |
| Inchi | InChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3/t10-/m0/s1 |
| Smiles | C[C@@H](CCCC(C)C)CCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients