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 |
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