cis-Pulegol
PubChem CID: 10080594
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| Compound Synonyms | cis-Pulegol, Pulegol, cis-, (-)-cis-Pulegol, (1R)-cis-Pulegol, PE52EF6PNL, Pulegol, (1R,5R)-, 43CY8VWL23, p-Menth-4(8)-en-3-ol, cis-, p-Menth-4(8)-en-3-ol, (1R,3R)-, 22472-80-6, Cyclohexanol, 5-methyl-2-(1-methylethylidene)-, cis-, Cyclohexanol, 5-methyl-2-(1-methylethylidene)-, (1R,5R)-, Cyclohexanol, 5-methyl-2-(1-methylethylidene)-, (1R-cis)-, Cyclohexanol, 5-methyl-2-(1-methylethylidene)-, (1R,5R)-rel-, 29910-20-1, UNII-PE52EF6PNL, UNII-43CY8VWL23, SCHEMBL291585, JGVWYJDASSSGEK-PSASIEDQSA-N, Q67879804 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | P-menth-4(8)-en-3-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. P-menth-4(8)-en-3-ol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). P-menth-4(8)-en-3-ol can be found in spearmint, which makes P-menth-4(8)-en-3-ol a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 166.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Is Pains | False |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | JGVWYJDASSSGEK-PSASIEDQSA-N |
| Fcsp3 | 0.8 |
| Rotatable Bond Count | 0.0 |
| Synonyms | (-)-cis-Pulegol |
| Compound Name | cis-Pulegol |
| Prediction Hob Swissadme | 0.0 |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3272686 |
| Inchi | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8,10-11H,4-6H2,1-3H3/t8-,10-/m1/s1 |
| Smiles | C[C@@H]1CCC(=C(C)C)[C@@H](C1)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Marrubium Cylleneum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Spicata (Plant) Rel Props:Source_db:fooddb_chem_all