Ethyl cyclohexanecarboxylate

C₉H₁₆O₂CAS 3289-28-9156.22 g/mol

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Properties

Molecular formula: C₉H₁₆O₂
Molar mass: 156.22 g/mol
Exact mass: 156.1150 Da
Density: 0.962 g/mL (at 20 °C)
Melting point: 120 °C
Boiling point: 196 °C
logP: 2.13Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

3289-28-9

SMILES

CCOC(=O)C1CCCCC1

InChIKey

JJOYCHKVKWDMEA-UHFFFAOYSA-N

InChI

InChI=1S/C9H16O2/c1-2-11-9(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3

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Names and synonyms

5 names

Cyclohexanecarboxylic acid, ethyl ester
Ethyl cyclohexylcarboxylate
Ethoxycarbonylcyclohexane
Ethyl cyclohexanoate
NSC 5298

Work with Ethyl cyclohexanecarboxylate

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

Ethyl cyclobutanecarboxylate14924-53-988 % similar Ethyl cyclopropanecarboxylate4606-07-979 % similar 1,2-Diethyl 1,2-cyclohexanedicarboxylate10138-59-767 % similar Ethyl isonipecotate1126-09-666 % similar Ethyl 4-oxocyclohexanecarboxylate17159-79-466 % similar Ethyl 4,4-difluorocyclohexanecarboxylate178312-47-565 % similar Ethyl 4-hydroxycyclohexanecarboxylate17159-80-763 % similar trans-Ethyl 4-hydroxycyclohexanecarboxylate3618-04-063 % 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 Delta-nonalactone3301-94-8

Elsewhere

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