(R)-4-(isopropyl)-1-methylcyclohexene
PubChem CID: 70954
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| Compound Synonyms | (+)-p-Menth-1-ene, (+)-Carvomenthene, 1195-31-9, Cyclohexene, 1-methyl-4-(1-methylethyl)-, (R)-, p-Menthene, (4R)-1-methyl-4-propan-2-ylcyclohexene, EINECS 214-794-3, (R)-4-(Isopropyl)-1-methylcyclohexene, p-Menth-1-ene, (R)-(+)-, (R)-Carvomenthene, (+)-p-Menthene, (+)-1-p-Menthene, p-Menthene, (+)-, (+)-1-p- Menthene, DTXSID70904263, DTXSID90904381, AKOS017343076, (4R)-4-Isopropyl-1-methylcyclohexene, (+)-p-Menth-1-ene, analytical standard, 4-Isopropyl-1-methyl-1-cyclohexene, (R)-, NS00079547, Cyclohexene, 1-methyl-4-(1-methylethyl)-, (+)-, Cyclohexane, 1-methyl-4-(1-methylethyl)-, didehydro deriv., (R)-, 214-794-3 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Description | P-menthene 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-menthene can be found in cardamom, which makes P-menthene a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 131.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4R)-1-methyl-4-propan-2-ylcyclohexene |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 3.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Molecular Formula | C10H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FAMJUFMHYAFYNU-JTQLQIEISA-N |
| Fcsp3 | 0.8 |
| Logs | -4.328 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.099 |
| Synonyms | (+)-1-Menthene, 4-Isopropyl-1-methyl-1-cyclohexene, Cyclohexane, 1-methyl-4-(1-methylethyl)-, didehydro deriv., Cyclohexene, 1-methyl-4-(1-methylethyl)-, (+)-, p-Menth-1-ene, (R)-(+)-, P-menthene, (+)- |
| Compound Name | (R)-4-(isopropyl)-1-methylcyclohexene |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 138.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 138.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -2.7857748 |
| Inchi | InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,8,10H,5-7H2,1-3H3/t10-/m0/s1 |
| Smiles | CC1=CC[C@@H](CC1)C(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Menthane monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aloe Barbadensis (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Elettaria Cardamomum (Plant) Rel Props:Source_db:fooddb_chem_all