Lavandulol, (+/-)-
PubChem CID: 94060
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| Compound Synonyms | 58461-27-1, (+/-)-Lavandulol, 5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-ol, 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, rac-Lavandulol, 1845-51-8, 5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol, Lavandulol, (+/-)-, UNII-1YPC7F65XU, 1YPC7F65XU, EINECS 261-264-2, 2-Isopropenyl-5-methylhex-4-en-1-ol, ( inverted exclamation markA)-Lavandulol, CHEBI:50281, (+-)-Lavandulol, MFCD00674532, 5-methyl-2-(1-methylethenyl)hex-4-en-1-ol, (.+/-.)-Lavandulol, SCHEMBL114316, Lavandulol, analytical standard, LCZC2012, CZVXBFUKBZRMKR-UHFFFAOYSA-, DTXSID70866690, 2-isopropenyl-5-methyl-4-hexenol, HY-N7731, AKOS016011078, FR27643, SB37797, DA-68987, DS-016833, 2-Isopropenyl-5-methyl-(-)-4-Hexen-1-ol, CS-0136076, NS00012719, F88035, 4-HEXEN-1-OL, 2-ISOPROPENYL-5-METHYL-, Q616128, 5-Methyl-2-(1-methylethenyl)-(R)-4-Hexen-1-ol, 4-Hexen-1-ol, 2-isopropenyl-5-methyl-, (-)- (8CI), InChI=1/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h5,10-11H,3,6-7H2,1-2,4H3, 261-264-2, 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, 4-Hexen-1-ol, 2-isopropenyl-5-methyl- (7CI), (+/-)-Lavandulol, 2-Isopropenyl-5-methyl-4-hexen-1-ol, 5-Methyl-2-(1-methylethenyl)-4-hexen-1-ol, 2-Isopropenyl-5-methyl-4-hexen-1-ol, (+/-)-Lavandulol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | Constituent of French lavender oil. (R)-Lavandulol is found in peppermint and rosemary. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 152.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 3.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 1.0 |
| Inchi Key | CZVXBFUKBZRMKR-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -2.632 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.684 |
| Synonyms | (-)-2-isopropenyl-5-methyl-4-hexen-1-ol, (-)-lavandulol, (2R)-5-methyl-2-(1-methylethenyl)hex-4-en-1-ol, (2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-ol, (r)-(-)-lavandulol, (R)-5-methyl-2-(1-methylethenyl)-4-hexen-1-ol, (r)-lavandulol, 2-Isopropenyl-5-methyl-(-)-4-hexen-1-ol, 4-Hexen-1-ol, 2-isopropenyl-5-methyl-, (-)-, 4-Hexen-1-ol, 2-isopropenyl-5-methyl-, (-)- (8CI), 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (R)-, 5-Methyl-2-(1-methylethenyl)-(R)-4-hexen-1-ol, 5-Methyl-2-(1-methylethenyl)hex-4-en-1-ol, 2-Isopropenyl-5-methyl-4-hexen-1-ol, 5-Methyl-2-(1-methylethenyl)-4-hexen-1-ol, Lavandulol, (-)-2-Isopropenyl-5-methyl-4-hexen-1-ol, (-)-Lavandulol, (2R)-5-Methyl-2-(1-methylethenyl)hex-4-en-1-ol, (2R)-5-Methyl-2-(prop-1-en-2-yl)hex-4-en-1-ol, (R)-(-)-Lavandulol, (R)-5-Methyl-2-(1-methylethenyl)-4-hexen-1-ol, 4-Hexen-1-ol, 2-isopropenyl-5-methyl-, (-)- (8ci) |
| Compound Name | Lavandulol, (+/-)- |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aliphatic acyclic compounds |
| 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 |
| Smiles | CC(=CCC(CO)C(=C)C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Acyclic monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Rosmarinus Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all