2,6-Dimethyl-5,7-octadien-2-ol-, (5Z)-
PubChem CID: 13547825
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| Compound Synonyms | cis-Ocimenol, R76TY3YEY8, 5,7-Octadien-2-ol, 2,6-dimethyl-, (Z)-, cis-2,6-Dimethyl-5,7-octadien-2-ol, 7643-59-6, (5Z)-2,6-Dimethyl-5,7-octadien-2-ol, 2,6-Dimethyl-5,7-octadien-2-ol-, (5Z)-, 5,7-Octadien-2-ol, 2,6-dimethyl-, (5Z)-, UNII-R76TY3YEY8, Ocimenol (Ascoidea), cis-, (Z)-2,6-Dimethylocta-5,7-dien-2-ol, (5Z)-2,6-DIMETHYLOCTA-5,7-DIEN-2-OL, SCHEMBL11767058 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | (z)-ocimenol is a member of the class of compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ) (z)-ocimenol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (z)-ocimenol can be found in ceylon cinnamon and pepper (spice), which makes (z)-ocimenol a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 154.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5Z)-2,6-dimethylocta-5,7-dien-2-ol |
| Nih Violation | False |
| Class | Organooxygen compounds |
| Xlogp | 2.9 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Alcohols and polyols |
| Molecular Formula | C10H18O |
| Inchi Key | IJFKZRMIRAVXRK-CLFYSBASSA-N |
| Rotatable Bond Count | 4.0 |
| Compound Name | 2,6-Dimethyl-5,7-octadien-2-ol-, (5Z)- |
| Kingdom | Organic compounds |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,7,11H,1,6,8H2,2-4H3/b9-7- |
| Smiles | C/C(=C/CCC(C)(C)O)/C=C |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Tertiary alcohols |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Verum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all