Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2R,5R)-rel-
PubChem CID: 443163
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| Compound Synonyms | (-)-dihydrocarveol, 20549-47-7, (1R,2R,4R)-Dihydrocarveol, (1R,2R,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexanol, 38049-26-2, Dihydrocarveol, (-)-, (1R,2R,5R)-5-Isopropenyl-2-methylcyclohexanol, (1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol, (1R,2R,4R)-p-menth-8-en-2-ol, Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2R,5R)-rel-, DTXSID70885700, 2683FD21WA, (1R,2R,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexan-1-ol, DIHYDROCARVEOL [FHFI], UNII-2683FD21WA, Dihydroisocarveol, bmse000533, CHEBI:149, SCHEMBL1655773, HY-N8491B, KRCZYMFUWVJCLI-OPRDCNLKSA-N, DTXCID101025064, AKOS015913739, Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R-(1alpha,2beta,5alpha))-, FS-7323, LMPR0102090031, FEMA NO. 2379, (-)-, CS-0783414, P-MENTH-8-EN-2-OL, (R,R,R)-(-)-, Q27105257, Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2R,5R)- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | (-)-dihydrocarveol, also known as (1r,2r,5r)-5-isopropenyl-2-methylcyclohexanol or (1r,2r,4r)-P-menth-8-en-2-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. Thus, (-)-dihydrocarveol is considered to be an isoprenoid lipid molecule (-)-dihydrocarveol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). (-)-dihydrocarveol can be found in fats and oils and herbs and spices, which makes (-)-dihydrocarveol a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 3.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 1.0 |
| Inchi Key | KRCZYMFUWVJCLI-OPRDCNLKSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.263 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.799 |
| Synonyms | (1R,2R,4R)-Dihydrocarveol, (1R,2R,4R)-P-Menth-8-en-2-ol, (1R,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexanol, (1R,2R,5R)-5-Isopropenyl-2-methylcyclohexanol, (-)-Dihydrocarveol |
| Compound Name | Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2R,5R)-rel- |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -2.7526686000000002 |
| Inchi | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10-/m1/s1 |
| Smiles | C[C@@H]1CC[C@H](C[C@H]1O)C(=C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Menthane monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all