cis-2,8-Menthadien-2-ol
PubChem CID: 69528770
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | cis-2,8-Menthadien-2-ol, SCHEMBL5677536, CHEBI:230172, 6-methyl-3-prop-1-en-2-ylcyclohexen-1-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | HAFJUULUJCSUEI-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Compound Name | cis-2,8-Menthadien-2-ol |
| Kingdom | Organic compounds |
| Description | Cis-2,8-menthadien-2-ol is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Cis-2,8-menthadien-2-ol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Cis-2,8-menthadien-2-ol can be found in pepper (spice), which makes cis-2,8-menthadien-2-ol a potential biomarker for the consumption of this food product. |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 191.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methyl-3-prop-1-en-2-ylcyclohexen-1-ol |
| Total Atom Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Prenol lipids |
| Inchi | InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h6,8-9,11H,1,4-5H2,2-3H3 |
| Smiles | CC1CCC(C=C1O)C(=C)C |
| Xlogp | 3.2 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Monoterpenoids |
| Taxonomy Direct Parent | Menthane monoterpenoids |
| Molecular Formula | C10H16O |
- 1. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all