Dihydrocarvyl acetate, (-)-
PubChem CID: 6553874
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| Compound Synonyms | Dihydrocarvyl acetate, (-)-, 57287-13-5, (-)-Dihydrocarvyl acetate, UNII-19YC94Z8Z3, FEMA no. 2380, (-)-, 19YC94Z8Z3, (R)-dihydrocarvyl acetate, [(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate, Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R,2R,5R)-, Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,2R,5R)-, XC721O44HW, DTXSID80205899, Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R-(1alpha,2beta,5alpha))-, (1R,2R,5R)-2-METHYL-5-(PROP-1-EN-2-YL)CYCLOHEXYL ACETATE, Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,2R,5R)-rel-, CYCLOHEXANOL, 2-METHYL-5-(1-METHYLETHENYL)-, ACETATE, (1R-(1.ALPHA.,2.BETA.,5.ALPHA.))-, FEMA No. 2380, DTXSID501031358, ((1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl) acetate, EINECS 244-029-9, Menth-8(9)-en-2-yl acetate, p-, UNII-XC721O44HW, 2-Methyl-5-(1-methylethenyl)cyclohexyl acetate, (1alpha,2beta,5alpha)-, SCHEMBL20485460, DTXCID60128390, Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, acetate, (1-alpha,2-beta,5-alpha)-, Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, acetate, (1.alpha.,2.beta.,5.alpha.)-, Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, acetate, (1alpha,2beta,5alpha)-, TRANS-DIHYDROCARVYL ACETATE, AKOS017343696, CS-0505623, G84790, Q63399688, (1alpha,2beta,5alpha)-2-Methyl-5-(1-methylvinyl)cyclohexyl acetate, Rel-(1R,2R,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexyl acetate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 232.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | [(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C12H20O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | TUSIZTVSUSBSQI-YUSALJHKSA-N |
| Fcsp3 | 0.75 |
| Logs | -2.762 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.602 |
| Compound Name | Dihydrocarvyl acetate, (-)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 196.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 196.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2403979999999994 |
| Inchi | InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11-,12-/m1/s1 |
| Smiles | C[C@@H]1CC[C@H](C[C@H]1OC(=O)C)C(=C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all