4-Menth-1-ene-8,9-diol
PubChem CID: 93024
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| Compound Synonyms | Uroterpenol, 6252-35-3, 2-(4-methylcyclohex-3-en-1-yl)propane-1,2-diol, 4-Menth-1-ene-8,9-diol, CCRIS 7134, EINECS 228-373-7, P-menth-1-ene-8,9-diol, Para-menth-1-ene-8,9-diol, 2-(4-Methyl-3-cyclohexen-1-yl)propane-1,2-diol, p-Mentha-1-en-8,9-diol, SCHEMBL8743853, DTXSID00978114, NS00044362 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | ZJALAEQNHJQSTN-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Compound Name | 4-Menth-1-ene-8,9-diol |
| Description | 1-p-menthene-8,9-diol 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. 1-p-menthene-8,9-diol is soluble (in water) and a very weakly acidic compound (based on its pKa). 1-p-menthene-8,9-diol can be found in caraway, which makes 1-p-menthene-8,9-diol a potential biomarker for the consumption of this food product. |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 186.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-methylcyclohex-3-en-1-yl)propane-1,2-diol |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C10H18O2/c1-8-3-5-9(6-4-8)10(2,12)7-11/h3,9,11-12H,4-7H2,1-2H3 |
| Smiles | CC1=CCC(CC1)C(C)(CO)O |
| Xlogp | 0.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H18O2 |
- 1. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Source_db:fooddb_chem_all