(S-(R*,S*))-2-Methyl-2-(4-methylcyclohex-3-enyl)oxirane
PubChem CID: 119634
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 31684-93-2, 8,9-Epoxylimonene, 28098-67-1, Oxirane, 2-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, EINECS 248-839-3, [S-(R*,S*)]-2-methyl-2-(4-methylcyclohex-3-enyl)oxirane, p-Menth-1-ene, 8,9-epoxy-, (4R,8S)-(+)-, (S-(R*,S*))-2-Methyl-2-(4-methylcyclohex-3-enyl)oxirane, 8,9-epoxy-p-menth-1-ene, 2-Methyl-2-(4-methyl-3-cyclohexen-1-yl)oxirane, (4R,8Rs)-limonene-8,9-epoxide, 8,9-Limonene epoxide-I, 2-methyl-2-(4-methylcyclohex-3-en-1-yl)oxirane, SCHEMBL8582821, DTXSID40950833, AKOS025296184, FL35950, NS00050442, 248-839-3 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C2CC2)CC1 |
| Np Classifier Class | Monocyclic monoterpenoids |
| Deep Smiles | CC=CCCCC6))CC)CO3 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Epoxides |
| Scaffold Graph Node Level | C1CCC(C2CO2)CC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 195.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-2-(4-methylcyclohex-3-en-1-yl)oxirane |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Scaffold Graph Node Bond Level | C1=CCC(C2CO2)CC1 |
| Inchi Key | PJGRMBOWSWHGDV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 8,9-limonene epoxide i, 8,9-limonene epoxide-i, 8,9-limonene-epoxide-i |
| Esol Class | Very soluble |
| Functional Groups | CC1(C)CO1, CC=C(C)C |
| Compound Name | (S-(R*,S*))-2-Methyl-2-(4-methylcyclohex-3-enyl)oxirane |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H16O/c1-8-3-5-9(6-4-8)10(2)7-11-10/h3,9H,4-7H2,1-2H3 |
| Smiles | CC1=CCC(CC1)C2(CO2)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 Foeniculum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699943