Cyclohexane, 1-methyl-4-(1-methylethenyl)-, cis-
PubChem CID: 14299
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| Compound Synonyms | p-Menth-8-ene, cis-, p-Menth-8-ene, trans-, Cyclohexane, 1-methyl-4-(1-methylethenyl)-, cis-, 1124-25-0, cis-1-Isopropenyl-4-methylcyclohexane, 1-methyl-4-prop-1-en-2-ylcyclohexane, Cyclohexane, 1-methyl-4-(1-methylethenyl)-, trans-, 6252-33-1, 1-METHYL-4-(1-METHYLETHENYL)CYCLOHEXANE, beta-Dihydrolimonene, cis-p-Menth-8-ene, trans-p-Menth-8-ene, 1-methyl-4-(prop-1-en-2-yl)cyclohexane, 8-cis-Menthene, 8-p-menthene, 8-P-menthene (cis), 8-P-menthene (trans), Cyclohexane, 1-methyl-4-(1-methylethenyl)-, DTXSID40978113, WPMKLOWQWIDOJN-AOOOYVTPSA-N, WPMKLOWQWIDOJN-MGCOHNPYSA-N, WPMKLOWQWIDOJN-UHFFFAOYSA-N, DTXSID001337422, DTXSID701015942, AKOS006329653, trans-1-Isopropenyl-4-methylcyclohexane, 1-Isopropenyl-4-methylcyclohexane, (E)-, 1-Isopropenyl-4-methylcyclohexane, (Z)-, 1879-07-8, trans-1-Methyl-4-(1-methylethenyl)cyclohexane |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Menthane monoterpenoids |
| Deep Smiles | CCCCCCC6))C=C)C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Prenol lipids |
| Description | 8-cis-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. 8-cis-menthene can be found in caraway, which makes 8-cis-menthene a potential biomarker for the consumption of this food product. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | fooddb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-4-prop-1-en-2-ylcyclohexane |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18 |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Inchi Key | WPMKLOWQWIDOJN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | cis-p-menth-8-ene |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C |
| Compound Name | Cyclohexane, 1-methyl-4-(1-methylethenyl)-, cis- |
| Exact Mass | 138.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 138.25 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h9-10H,1,4-7H2,2-3H3 |
| Smiles | CC1CCC(CC1)C(=C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Carya Illinoinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1409655