(+)-trans-Limonene oxide
PubChem CID: 449290
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| Compound Synonyms | (+)-trans-Limonene oxide, 6909-30-4, (+)-trans-Limonene 1,2-epoxide, D-LIMONENE 1,2-EPOXIDE, (r)-(+)-limonene oxide, trans-(+)-Limonene oxide, trans-d-Limonene oxide, (1S,4R,6R)-4-isopropenyl-1-methyl-7-oxabicyclo[4.1.0]heptane, cis-1,2-limonene oxide, (4R)-limonene 1alpha,2alpha-epoxide, 8VUQ1B30IK, (1S,4R,6R)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane, Limonene oxide, trans-(+)-, 1alpha,2alpha-epoxy-4betaH-p-menth-8-ene, p-Menth-8-ene, 1,2-epoxy-, stereoisomer, (+)-trans-limonene-1,2-epoxide, (1S,4R,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane, (+)?-?trans-?Limonene Oxide, (+)-TRANS-LIMONENE1,2-EPOXIDE, LEO, UNII-8VUQ1B30IK, 2a2g, SCHEMBL2747634, CHEBI:43812, DTXSID30219128, 7-Oxabicyclo(4.1.0)heptane, 1-methyl-4-(1-methylethenyl)-, (1S,4R,6R)-, AKOS017342873, LMPR0102090048, 7-Oxabicyclo(4.1.0)heptane, 1-methyl-4-(1-methylethenyl)-, (1S-(1alpha,4beta,6alpha))-, (+)-(1S,4R)-limonene-1,2- epoxide, CS-15277, FEMA NO. 4655, TRANS-(+)-, DB-246767, CS-0014272, C13239, (+)-(1S,2R,4R)-LIMONENE 1,2-EPOXIDE, (+)-trans-Limonene 1,2-epoxide, analytical standard, Q27104515, (1S,4R,6R)-1-methyl-4-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptane, (+)-trans-p-Mentha-1,8-diene 1,2-epoxide, (1S,4R)-1,2-Epoxy-p-menth-8-ene, 7-OXABICYCLO(4.1.0)HEPTANE, 1-METHYL-4-(1-METHYLETHENYL)-, (1S-(1.ALPHA.,4.BETA.,6.ALPHA.))- |
|---|---|
| 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]CC[C@][C@@H]C6)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 | 3.0 |
| Iupac Name | (1S,4R,6R)-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-BBBLOLIVSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8 |
| Logs | -3.145 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.263 |
| Synonyms | trans-limonene oxide |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, C[C@H]1O[C@]1(C)C |
| Compound Name | (+)-trans-Limonene oxide |
| 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+/m1/s1 |
| Smiles | CC(=C)[C@@H]1CC[C@]2([C@@H](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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