2-Methyl-5-(prop-1-en-2-yl)cyclohex-3-en-1-ol
PubChem CID: 71353159
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| Compound Synonyms | 18675-37-1, 2,8-p-Menthadien-6-ol, 2-Methyl-5-(prop-1-en-2-yl)cyclohex-3-en-1-ol, DTXSID50777917 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | 2,8-p-menthadien-6-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. 2,8-p-menthadien-6-ol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). 2,8-p-menthadien-6-ol can be found in caraway, which makes 2,8-p-menthadien-6-ol a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 181.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-5-prop-1-en-2-ylcyclohex-3-en-1-ol |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 2.7 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Monoterpenoids |
| Molecular Formula | C10H16O |
| Inchi Key | BLPCSYONXDRXMD-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Compound Name | 2-Methyl-5-(prop-1-en-2-yl)cyclohex-3-en-1-ol |
| Kingdom | Organic compounds |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Inchi | InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-5,8-11H,1,6H2,2-3H3 |
| Smiles | CC1C=CC(CC1O)C(=C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Menthane monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Source_db:fooddb_chem_all