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Limonene oxide, cis-(-)-

PubChem CID: 6452061

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Compound Synonyms 32543-51-4, Limonene oxide, cis-(-)-, cis-(-)-1,2-Epoxy-p-menth-8-ene, FEMA No. 4656, cis-(-)-, UNII-215X25J847, 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)-, (1S,4S,6R)-, cis-(-)-limonene oxide, (1S,4S,6R)-1-Methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane, 215X25J847, DTXSID80186250, 7-Oxabicyclo(4.1.0)heptane, 1-methyl-4-(1-methylethenyl)-, (1S,4S,6R)-, 7-Oxabicyclo(4.1.0)heptane, 1-methyl-4-(1-methylethenyl)-, (1S-(1alpha,4alpha,6alpha))-, (1S,4S,6R)-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)-, (1S-(1.ALPHA.,4.ALPHA.,6.ALPHA.))-, 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)-, [1S-(1.alpha.,4.alpha.,6.alpha.)]-, -(-) limonene oxide, cis-(?)-Limonene oxide, SCHEMBL230827, DTXCID90108741, 13837-75-7, AT23319, (-)-(1S,4S)-limonene-1,2- epoxide, Q27253522, GHI
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,4S,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
Nih Violation False
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Organoheterocyclic compounds
Xlogp 2.5
Is Pains False
Gsk 4 400 Rule True
Molecular Formula C10H16O
Scaffold Graph Node Bond Level C1CCC2OC2C1
Prediction Swissadme 0.0
Inchi Key CCEFMUBVSUDRLG-AEJSXWLSSA-N
Silicos It Class Soluble
Fcsp3 0.8
Logs -3.913
Rotatable Bond Count 1.0
Logd 1.569
Synonyms cis-limonene oxide
Esol Class Soluble
Functional Groups C=C(C)C, C[C@H]1O[C@]1(C)C
Compound Name Limonene oxide, cis-(-)-
Prediction Hob Swissadme 0.0
Exact Mass 152.12
Formal Charge 0.0
Brenk Violation True
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]1CC[C@]2([C@@H](C1)O2)C
Nring 3.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Monoterpenoids

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