(4S)-1-Methyl-4-(prop-1-EN-2-YL)-7-oxabicyclo[4.1.0]heptane
PubChem CID: 10953718
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| Compound Synonyms | Limonene oxide, (-)-, 203719-53-3, (4S)-Limonene-1,2-epoxide, L-8-p-Menthene-1,2-epoxide, (4S)-1-METHYL-4-(PROP-1-EN-2-YL)-7-OXABICYCLO[4.1.0]HEPTANE, (4S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane, 7-OXABICYCLO[4.1.0]HEPTANE, 1-METHYL-4-(1-METHYLETHENYL)-, (4S)-, (4S)-1-Methyl-4-(prop-1-en-2-yl)-7-oxabicyclo(4.1.0)heptane, L-1,2-Epoxylimonene, L-Limonene 1,2-epoxide, UNII-19GI74JS93, FEMA No. 4656, (-)-limonene oxide, a (4S)-limonene-1,2-epoxide, SCHEMBL15580358, CHEBI:82206, 19GI74JS93, a (4S)-1,2-epoxymenth-8-ene, MFCD00074837, AKOS040752577, C19081, Q27155805 |
|---|---|
| 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 | C1CCC2CC2C1 |
| Np Classifier Class | Menthane monoterpenoids, Monocyclic monoterpenoids |
| Deep Smiles | CC=C)[C@H]CCCCC6)O3))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Oxepanes |
| Scaffold Graph Node Level | C1CCC2OC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 197.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Scaffold Graph Node Bond Level | C1CCC2OC2C1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CCEFMUBVSUDRLG-IDKOKCKLSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8 |
| Logs | -2.721 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.368 |
| Synonyms | 1,2-epoxy-p-menth-8-ene, limonene oxide |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CC1OC1(C)C |
| Compound Name | (4S)-1-Methyl-4-(prop-1-EN-2-YL)-7-oxabicyclo[4.1.0]heptane |
| Prediction Hob Swissadme | 0.0 |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.7338694 |
| Inchi | InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m0/s1 |
| Smiles | CC(=C)[C@H]1CCC2(C(C1)O2)C |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
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