(R)-3-Methyl-1-hexanol
PubChem CID: 13317754
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| Compound Synonyms | (R)-3-METHYL-1-HEXANOL, 86423-92-9, (3R)-3-methylhexan-1-ol, (R)-3-methylhexan-1-ol, (r)-3-methyl-hexan-1-ol, QSPL 097, SCHEMBL8008044, 1-Hexanol,3-methyl-,(3R)-, DTXSID90536626, YGZVAQICDGBHMD-SSDOTTSWSA-N, AKOS006293176 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 43.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3-methylhexan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C7H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YGZVAQICDGBHMD-SSDOTTSWSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.51 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.495 |
| Compound Name | (R)-3-Methyl-1-hexanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 116.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 116.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 116.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7517648 |
| Inchi | InChI=1S/C7H16O/c1-3-4-7(2)5-6-8/h7-8H,3-6H2,1-2H3/t7-/m1/s1 |
| Smiles | CCC[C@@H](C)CCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients