cis-p-Menth-2-en-1-ol
PubChem CID: 5319367
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| Compound Synonyms | cis-p-menth-2-en-1-ol, trans-4-Isopropyl-1-methyl-2-cyclohexen-1-ol, 29803-81-4, (1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol, SCHEMBL2582664, DTXSID90881244, NS00051133, (1s,4r)-4-isopropyl-1-methyl-2-cyclohexen-1-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | Cis-p-menth-2-en-1-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-p-menth-2-en-1-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Cis-p-menth-2-en-1-ol can be found in cardamom, sweet bay, and sweet marjoram, which makes cis-p-menth-2-en-1-ol a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 160.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 2.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 1.0 |
| Inchi Key | IZXYHAXVIZHGJV-NXEZZACHSA-N |
| Fcsp3 | 0.8 |
| Logs | -1.808 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.237 |
| Synonyms | (Z)-p-Menth-2-en-1-ol, (Z)-p-Mentha-2-en-1-ol, 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4S)-rel-, cis-2-p-Menthen-1-ol, cis-Menth-2-en-1-ol, cis-p-Menth-2-en-1-ol, cis-p-Mentha-2-en-1-ol, cis-para-Menth-2-en-1-ol, p-Menth-2-en-1-ol |
| Compound Name | cis-p-Menth-2-en-1-ol |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -2.1730686 |
| Inchi | InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,8-9,11H,5,7H2,1-3H3/t9-,10-/m1/s1 |
| Smiles | CC(C)[C@H]1CC[C@](C=C1)(C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Menthane monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Amomum Kravanh (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Elettaria Cardamomum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Laurus Nobilis (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Origanum Majorana (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all