(Z)-2-Methyl-6-methylene-2,7-octadien-1-ol
PubChem CID: 5319723
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| Compound Synonyms | Myrcenol 8, cis-Myrcenol 8, Myrcen-8-ol, (Z)-2-Methyl-6-methylene-2,7-octadien-1-ol, (2E)-2-methyl-6-methylideneocta-2,7-dien-1-ol, 17015-29-1, 2-Methyl-6-methylene-2E,7-octadien-1-ol, e-myrcenol, SCHEMBL1301152, SCHEMBL1301155, CHEBI:171984, IEVYLQISZQFFGA-JXMROGBWSA-N, LMFA05000123, 2,7-Octadien-4-ol, 2-methyl-6-methylene-, (2E)-2-methyl-6-methylene-2,7-octadien-1-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | Constituent of the essential oil of Thymus vulgaris (thyme). (Z)-2-Methyl-6-methylene-2,7-octadien-1-ol is found in herbs and spices and common thyme. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 166.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E)-2-methyl-6-methylideneocta-2,7-dien-1-ol |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 3.1 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 1.0 |
| Inchi Key | IEVYLQISZQFFGA-JXMROGBWSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.165 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.114 |
| Synonyms | (Z)-2-Methyl-6-methylene-2,7-octadien-1-ol, cis-Myrcenol 8 |
| Compound Name | (Z)-2-Methyl-6-methylene-2,7-octadien-1-ol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -2.2934693999999998 |
| Inchi | InChI=1S/C10H16O/c1-4-9(2)6-5-7-10(3)8-11/h4,7,11H,1-2,5-6,8H2,3H3/b10-7+ |
| Smiles | C/C(=C\CCC(=C)C=C)/CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Acyclic monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all