Carvone-5,6-oxide, trans-(-)-
PubChem CID: 11829800
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| Compound Synonyms | 1,6-Epoxyisodihydrocarvone, Carvone-5,6-oxide, trans-(-)-, 39903-97-4, (-)-1,6-Epoxyisodihydrocarvone, R4L67O4GBC, FEMA no. 4084, trans-(-)-, DTXSID20192956, (1s,4s,6s)-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)-, (1S,4S,6S)-, (1S,4S,6S)-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)-, (1S-(1alpha,4alpha,6alpha))-, Rel-(1S,4S,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptan-2-one, 39067-90-8, 7-OXABICYCLO(4.1.0)HEPTAN-2-ONE, 1-METHYL-4-(1-METHYLETHENYL)-, (1S-(1.ALPHA.,4.ALPHA.,6.ALPHA.))-, UNII-R4L67O4GBC, (1S,4S,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo(4.1.0)heptan-2-one, (-)-1,6-Epoxyisodihydrocarvone, (1S,4S,6S)-1-Methyl-4-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptan-2-one, [1S-(1alpha,4alpha,6alpha)]-1-Methyl-4-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptan-2-one, (1S,4S,6S)-1-Methyl-4-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptan-2-one, SCHEMBL8009113, trans-(-)-carvone-5,6-oxide, DTXCID60115447, YGMNGQDLUQECTO-FKTZTGRPSA-N, EN300-1196631, Q27287793, Z1513594901, 872-933-9 |
|---|---|
| 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;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,4S,6S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C10H14O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YGMNGQDLUQECTO-FKTZTGRPSA-N |
| Fcsp3 | 0.7 |
| Logs | -1.915 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.674 |
| Compound Name | Carvone-5,6-oxide, trans-(-)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| 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-/m1/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 |
- 1. Outgoing r'ship
FOUND_INto/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients