(S)-lavandulol
PubChem CID: 68133
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| Compound Synonyms | (S)-lavandulol, (+)-Lavandulol, 50373-53-0, S-(+)-Lavandulol, Lavandulol, (+)-, 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (2S)-, 8PLA23B8JZ, (2S)-5-methyl-2-(1-methylethenyl)hex-4-en-1-ol, (2S)-5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol, (2S)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-ol, 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (S)-, UNII-8PLA23B8JZ, SCHEMBL1301103, CHEBI:50282, DTXSID50275701, CZVXBFUKBZRMKR-SNVBAGLBSA-N, LMPR0102010018, (S)-5-Methyl-2-(prop-1-en-2-yl)hex-4-en-1-ol, (s)-5-methyl-2-(prop-1-en-2-yl)-hex-4-en-1-ol, Q27122018 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 152.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 1.0 |
| Inchi Key | CZVXBFUKBZRMKR-SNVBAGLBSA-N |
| Fcsp3 | 0.6 |
| Logs | -2.239 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.71 |
| Compound Name | (S)-lavandulol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4349686000000004 |
| Inchi | InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h5,10-11H,3,6-7H2,1-2,4H3/t10-/m1/s1 |
| Smiles | CC(=CC[C@H](CO)C(=C)C)C |
| 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