2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,5R)-rel-
PubChem CID: 102024
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| Compound Synonyms | 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, cis-, cis-Carvyl acetate, p-Mentha-6,8-dien-2-ol, acetate, cis-, 7111-29-7, Carvyl acetate, (1R,5R)-, l-Carvyl acetate, 1205-42-1, EINECS 214-883-7, [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate, cis-2-Methyl-5-(1-methylvinyl)cyclohex-2-en-1-yl acetate, (1R-cis)-2-Methyl-5-(1-methylvinyl)cyclohex-2-en-1-yl acetate, 5481G91UGI, DTXSID401014557, 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,5R)-rel-, (1R,5R)-carvyl acetate, cis-l-Carvyl acetate, 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R-cis)-, UNII-5481G91UGI, ((1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) acetate, Z-Carvyl acetate, EINECS 230-414-9, Carvyl acetate (Z), p-Mentha-6,8-dien-2-ol, acetate, (2R,4R)-(-)-, CARVYL ACETATE, L-CIS-, SCHEMBL15914122, (-)-CIS-CARVEOL ACETATE, DTXCID201437127, DB-246733, NS00080240, Q27261184, 5-Isopropenyl-2-methyl-2-cyclohexen-1-yl acetate, cis- #, 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R,5R)-, 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1theta-cis)-, 2-CYCLOHEXEN-1-OL, 2-METHYL-5-(1-METHYLETHENYL)-, 1-ACETATE, (1R,5R)-, 214-883-7 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Menthane monoterpenoids, Monocyclic monoterpenoids |
| Deep Smiles | CC=O)O[C@@H]C[C@@H]CC=C6C))))C=C)C |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 276.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H18O2 |
| Scaffold Graph Node Bond Level | C1=CCCCC1 |
| Inchi Key | YTHRBOFHFYZBRJ-VXGBXAGGSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | (z)-carvyl acetate, cis-carvyl acetate, cis-carvyl-acetate |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CC(=O)OC, CC=C(C)C |
| Compound Name | 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,5R)-rel- |
| Exact Mass | 194.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 194.27 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5,11-12H,1,6-7H2,2-4H3/t11-,12-/m1/s1 |
| Smiles | CC1=CC[C@H](C[C@H]1OC(=O)C)C(=C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
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