p-Menth-6-en-2-ol, (2S,4S)-(+)-
PubChem CID: 534485
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| Compound Synonyms | p-Menth-6-en-2-ol, (2S,4S)-(+)-, 586-23-2, 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethyl)-, 2-methyl-5-propan-2-ylcyclohex-2-en-1-ol, 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethyl)-, (1S-cis)-, 1-p-Menthene-6-ol, SCHEMBL11501819, DTXSID10336549, FZXLDENMTYEVAD-UHFFFAOYSA-N, AKOS024339552 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | 1-p-menthene-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. 1-p-menthene-6-ol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). 1-p-menthene-6-ol can be found in caraway, which makes 1-p-menthene-6-ol a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 158.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-5-propan-2-ylcyclohex-2-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 1.0 |
| Inchi Key | FZXLDENMTYEVAD-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.144 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.634 |
| Compound Name | p-Menth-6-en-2-ol, (2S,4S)-(+)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7526686000000002 |
| Inchi | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,7,9-11H,5-6H2,1-3H3 |
| Smiles | CC1=CCC(CC1O)C(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all