(S)-(+)-3-Methyl-1-pentanol
PubChem CID: 641003
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| Compound Synonyms | (S)-(+)-3-Methyl-1-pentanol, 42072-39-9, (3S)-3-methylpentan-1-ol, (S)-3-Methyl-1-pentanol, MFCD00135167, (S)-3-methylpentanol, 3-Methyl-1-pentanol #, (S)-3-methylpentan-1-ol, SCHEMBL2171713, DTXSID10348844, AKOS015840016, FM60299, BS-22587, M0963, T72450 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 35.2 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S)-3-methylpentan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C6H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | IWTBVKIGCDZRPL-LURJTMIESA-N |
| Fcsp3 | 1.0 |
| Logs | -4.017 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.386 |
| Compound Name | (S)-(+)-3-Methyl-1-pentanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 102.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 102.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 102.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3905973999999999 |
| Inchi | InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3/t6-/m0/s1 |
| Smiles | CC[C@H](C)CCO |
| Nring | 9.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients