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Carvone-5,6-oxide, trans-(+)-

PubChem CID: 442462

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Compound Synonyms 36616-60-1, (R,R,R)-Carvone Epoxide, Carvone oxide, Carvone-5,6-oxide, trans-(+)-, S7C1X9QF3Q, 1-Carvone oxide, 7-Oxabicyclo[4.1.0]heptan-2-one, 1-methyl-4-(1-methylethenyl)-, (1R,4R,6R)-, DTXSID30884673, (+)-2,3-Epoxy-5-isopropenyl-2-methylcyclohexanone, (1R,4R,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one, L-(-)-CARVONE TRANS-EPOXIDE, NSC-316066, (+)-Carvone epoxide, (1R,4R,6R)-4-Isopropenyl-1-methyl-1,6-epoxycyclohexan-2-one, FEMA NO. 4084, TRANS-(+)-, (1r,4r,6r)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptan-2-one, 7-Oxabicyclo(4.1.0)heptan-2-one, 1-methyl-4-(1-methylethenyl)-, (1R,4R,6R)-, (1R,4R,6R)-1-METHYL-4-ISOPROPENYL-7-OXABICYCLO(4.1.0)HEPTAN-2-ONE, 7-OXABICYCLO(4.1.0)HEPTAN-2-ONE, 1-METHYL-4-(1-METHYLETHENYL)-, (1R-(1.ALPHA.,4.ALPHA.,6.ALPHA.))-, UNII-S7C1X9QF3Q, NSC 316066, (1alpha,4alpha,6alpha)-(+)-1-methyl-4-(1-methylvinyl)-7-oxabicyclo[4.1.0]heptan-2-one, EINECS 253-128-6, p-Menth-8-en-2-one, 1,6-epoxy-, (1R,4R,6R)-(-)-, SCHEMBL3364380, trans-(+)-carvone-5,6-oxide, (1alpha,4alpha,6alpha)-(+)-1-Methyl-4-(1-methylvinyl)-7-oxabicyclo(4.1.0)heptan-2-one, DTXCID201024102, LMPR0102090018, 7-Oxabicyclo(4.1.0)heptan-2-one, 1-methyl-4-(1-methylethenyl)-, (1R-(1alpha,4alpha,6alpha))-, NS00089116, C09841, Q27288773, (1r,4r,6r)-4-isopropenyl-1-methyl-7-oxabicyclo[4.1.0]heptan-2-one, (1R,4R,6R)-1-Methyl-4-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptan-2-one, (+)-2,3-Epoxy-5-isopropenyl-2-methylcyclohexanone, (1R,4R,6R)-4-Isopropenyl-1-methyl-1,6-epoxycyclohexan-2-one, (R,R,R)-Carvone Epoxide, Carvone 1,2-Oxide, NSC 316066
Topological Polar Surface Area 29.6
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 12.0
Isotope Atom Count 0.0
Molecular Complexity 257.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 3.0
Iupac Name (1R,4R,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one
Nih Violation False
Prediction Hob 1.0
Xlogp 1.6
Is Pains False
Molecular Formula C10H14O2
Prediction Swissadme 1.0
Inchi Key YGMNGQDLUQECTO-SFGNSQDASA-N
Fcsp3 0.7
Logs -3.136
Rotatable Bond Count 1.0
Logd 1.225
Compound Name Carvone-5,6-oxide, trans-(+)-
Prediction Hob Swissadme 1.0
Exact Mass 166.099
Formal Charge 0.0
Brenk Violation True
Monoisotopic Mass 166.099
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 166.22
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 0.0
Esol -1.793664
Inchi InChI=1S/C10H14O2/c1-6(2)7-4-8(11)10(3)9(5-7)12-10/h7,9H,1,4-5H2,2-3H3/t7-,9+,10-/m0/s1
Smiles CC(=C)[C@@H]1C[C@@H]2[C@@](O2)(C(=O)C1)C
Nring 2.0
Defined Bond Stereocenter Count 0.0