Cyclohexane, 1-methylene-4-(1-methylethenyl)-
PubChem CID: 68140
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| Compound Synonyms | p-Mentha-1(7),8-diene, 499-97-8, 1-Methylene-4-(1-methylvinyl)cyclohexane, Pseudolimonene, Cyclohexane, 1-methylene-4-(1-methylethenyl)-, 1-methylene-4-(1-methylethenyl)cyclohexane, EINECS 207-895-9, Pseudolimonen, pseudo-limonene, p-Menthadien, 1-methylidene-4-prop-1-en-2-ylcyclohexane, .psi.-Limonene, 1(7),8-p-Menthadiene, 1(7), 8-p-Menthadiene, BM3287QA6N, trans-p-mentha-1(7),8-diene, DTXSID40198152, PARA-MENTA-1(7),8-DIENE, AKOS015906577, 1-Isopropenyl-4-methylenecyclohexane #, NS00031989, Q63393473 |
|---|---|
| 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 | CC1CCCCC1 |
| Np Classifier Class | Monocyclic monoterpenoids |
| Deep Smiles | C=CCCCCC6))C=C)C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 143.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methylidene-4-prop-1-en-2-ylcyclohexane |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16 |
| Scaffold Graph Node Bond Level | C=C1CCCCC1 |
| Inchi Key | GOQRXDTWKVYHJH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | p-mentha-1 (7),8-diene, p-mentha-1(7), 8 diene, p-mentha-1(7),8-diene, p-mentha-1(7)8-diene, p-mentha-1,7(8)-diene (= pseudolimonene), p-mentha-1,7(8)-diene (=pseudolimonene), p-mentha-1,7(8)-diene(=pseudolimonene), pseudolimonene, psi-limonene |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C |
| Compound Name | Cyclohexane, 1-methylene-4-(1-methylethenyl)- |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| 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/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h10H,1,3-7H2,2H3 |
| Smiles | CC(=C)C1CCC(=C)CC1 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
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