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L-menthyl acetate

PubChem CID: 220674

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Compound Synonyms L-Menthyl acetate, (-)-Menthyl acetate, 2623-23-6, l-Menthol acetate, dl-Menthyl acetate, (1R)-(-)-Menthyl acetate, 89-48-5, (+/-)-Menthyl acetate, L-p-Menth-3-yl acetate, Menthyl acetate, dl-, (+-)-Menthyl acetate, (-)-Acetoxy-p-menthane, Menthyl acetate, (-)-, NSC-3722, l-Menthyl acetate (natural), W8C5F4H1OA, FEMA No. 2668, NSC 3722, EINECS 220-076-0, NSC 52970, NSC-52970, LF3LEI45OH, BRN 2208505, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-, MENTHYL ACETATE, L-, CHEBI:104, Menthol, acetate, (1R,3R,4S)-(-)-, rel-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl acetate, [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate, DTXSID7051472, DTXSID9041817, MENTHYL ACETATE [MART.], ACETIC ACID, p-MENTH-3-YL ESTER, l-, L-MENTHYL ACETATE [FHFI], NSC3722, 4-06-00-00153 (Beilstein Handbook Reference), Acetic acid, L-, NSC52970, (-)-MENTHYL ACETATE [FCC], Cyclohexan-1-ol, 2-isopropyl-5-methyl-, acetate, L-, (dl)-Menthyl acetate, Menthol, acetate, cis-1,3,trans-1,4-, (+-)-Menthol acetate, FEMA NO. 2668, (-)-, (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexanol 1-acetate, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-rel-, (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl acetate, Cyclohexan-1-ol, acetate, L-, MENTHYL ACETATE (MART.), (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl acetate, (1R,2S,5R)-rel-2-Isopropyl-5-methylcyclohexyl acetate, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1R-(1alpha,2beta,5alpha))-, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1theta-(1alpha,2beta,5alpha))-, WLN: L6TJ AY1&1 BOV1 D1 -L, (5R)-2-Isopropyl-5-methylcyclohexyl acetate, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1R,2S,5R)-, 5-Methyl-2-(1-methylethyl)cyclohexanol acetate, UNII-W8C5F4H1OA, p-Menth-3-yl acetate, dl-, MFCD00001482, (+/-)-Menthol Acetate, Menthyl Acetate, dl-Menthyl Actate, cis-1,3,trans-1,4-Menthol Acetate, (1R,2S,5R)-rel-5-Methyl-2-(1-methylethyl)cyclohexyl Acetate, (1R,2S,5R)-rel-2-Isopropyl-5-methylcyclohexyl Acetate, EINECS 201-911-8, EINECS 249-409-8, MFCD00063644, UNII-LF3LEI45OH, Menthyl acetate (Standard), dl-5-Methyl-2-(1-methylethyl)cyclohexyl acetate, SCHEMBL57397, MENTHYL ACETATE [MI], P-MENTH-3-YL ACETATE, MENTHYL ACETATE, RACEMIC, P- MENTH-3-YL ACETATE, CHEMBL2236867, DTXCID7021817, (+/-)-MENTHOL ACETATE, HY-N7132R, CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, ACETATE, (1.ALPHA.,2.BETA.,5.ALPHA.)-, XHXUANMFYXWVNG-ADEWGFFLSA-N, DTXCID701510704, HY-N7132, MENTHYL ACETATE, (+/-)-, 5-Methyl-2-(1-methylethyl)cyclohexyl acetate, (1alpha,2beta,5alpha)-, s5597, (1R)-(-)-Menthyl acetate, 98%, MENTHYL ACETATE RACEMATE [MI], AKOS015913189, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1alpha,2beta,5alpha)-, CCG-266575, CS-W010530, MENTHYL ACETATE, RACEMIC [FCC], Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, [1R-(1.alpha.,2.beta.,5.alpha.)]-, AS-71989, FM139285, A1107, l-(-)-Menthyl acetate, (-)-Menthyl acetate, M3399, NS00083606, FEMA NO. 2668, (+/-)-, C09870, D88378, EC 201-911-8, F77849, (1R)-(-)-Menthyl acetate, analytical standard, L-Menthyl acetate, natural, >=98%, FCC, FG, Menthol, acetate, (1R,3R,4S)-(-)-(8CI), Q6817577, Cyclohexanol,5-methyl-2-(1-methylethyl)-,1-acetate, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1R-(1alpha,2beta,5alpha))-(9CI), 220-076-0, 249-409-8
Topological Polar Surface Area 26.3
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 14.0
Isotope Atom Count 0.0
Molecular Complexity 198.0
Database Name cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 3.0
Iupac Name [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate
Prediction Hob 1.0
Class Prenol lipids
Xlogp 3.6
Superclass Lipids and lipid-like molecules
Subclass Monoterpenoids
Molecular Formula C12H22O2
Prediction Swissadme 1.0
Inchi Key XHXUANMFYXWVNG-ADEWGFFLSA-N
Fcsp3 0.9166666666666666
Logs -3.023
Rotatable Bond Count 3.0
State Solid
Logd 3.83
Synonyms (±)-menthyl acetic acid, (+-)-Menthol acetate, (+-)-Menthyl acetate, (+/-)-menthyl acetate, (DL)-Menthyl acetate, DL-p-Menth-3-yl acetate, Menthol acetate, Menthyl acetate, (1S,2R,5S)-5-Methyl-2-(propan-2-yl)cyclohexyl acetic acid, (+)-Menthyl acetic acid
Compound Name L-menthyl acetate
Kingdom Organic compounds
Prediction Hob Swissadme 1.0
Exact Mass 198.162
Formal Charge 0.0
Monoisotopic Mass 198.162
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 198.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic homomonocyclic compounds
Esol -3.3914972
Inchi InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m1/s1
Smiles C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C)C(C)C
Nring 1.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Menthane monoterpenoids