2-Methylcyclohexyl acetate

C₉H₁₆O₂CAS 5726-19-2156.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₆O₂
Molar mass: 156.22 g/mol
Exact mass: 156.1150 Da
Density: 0.937 g/mL (at 20 °C)
Boiling point: 54–56 °C
logP: 2.13Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

5726-19-2

SMILES

CC(=O)OC1CCCCC1C

InChIKey

AKIIJALHGMKJEJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H16O2/c1-7-5-3-4-6-9(7)11-8(2)10/h7,9H,3-6H2,1-2H3

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

4 names

Cyclohexanol, 2-methyl-, 1-acetate
Cyclohexanol, 2-methyl-, acetate
o-Methylcyclohexyl acetate
NSC 109144

Work with 2-Methylcyclohexyl acetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Verdox88-41-556 % similar Cyclohexyl acetate622-45-753 % similar Isopropyl acetate108-21-445 % similar 2,3-Diacetoxybutane1114-92-745 % similar Menthyl acetate16409-45-345 % similar Menthyl acetate2623-23-645 % similar (±)-Menthyl acetate89-48-545 % similar Aceclidine827-61-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Gamma-nonalactone104-61-0 2,2,6,6-Tetramethyl-2H-3,5,6-trihydropyran-4-one1197-66-6 Allyl hexanoate123-68-2 Olean180-84-7 2,6-Dimethyl-3,5-heptanedione18362-64-6 Hexyl acrylate2499-95-8 4-Hydroxynonenal29343-52-0 Ethyl cyclohexanecarboxylate3289-28-9

Elsewhere

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