Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, acetate
PubChem CID: 494311
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| Compound Synonyms | Isopulegol acetate, Isopulegyl acetate, 89-49-6, p-Menth-8-en-3-yl acetate, Isopropenylcyclohexan-3-ol acetate, (5-methyl-2-prop-1-en-2-ylcyclohexyl) acetate, AI3-02180, 1-Methyl-4-isopropenylcyclohexan-3-yl acetate, 5-Methyl-2-(1-methylethenyl)cyclohexanol acetate, Cyclohexanol, 5-methyl-2-(1-methylethenyl), acetate, Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, acetate, 2-Isopropenyl-5-methylcyclohexyl acetate, ISOPULEGOLACETATE, Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, acetate, [1R-(1.alpha.,2.beta.,5.alpha.)]-, neo-isopulegol acetate, neo-iso-isopulegol acetate, isopulegylacetat, NSC403868, 5-methyl-2-(prop-1-en-2-yl)cyclohexyl acetate, (-)-Isopulegyl acetate, SCHEMBL560314, DTXSID60861679, AKOS024286269, (2-isopropenyl-5-methyl-cyclohexyl) acetate, NS00012774, Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, acetate, (1R-(1alpha,2beta,5alpha))-, Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, acetate, {[1R-(1.alpha.,2.beta.,5.alpha.)]-} |
|---|---|
| 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 | 0.0 |
| Iupac Name | (5-methyl-2-prop-1-en-2-ylcyclohexyl) acetate |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C12H20O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HLHIVJRLODSUCI-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Logs | -4.147 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.873 |
| Compound Name | Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, 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 | -3.0828979999999997 |
| Inchi | InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3 |
| Smiles | CC1CCC(C(C1)OC(=O)C)C(=C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elettaria Cardamomum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all