Ethyl 4-hydroxycyclohexanecarboxylate

C₉H₁₆O₃CAS 17159-80-7172.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₆O₃
Molar mass: 172.22 g/mol
Exact mass: 172.1099 Da
Density: 1.0667 g/mL (at 20 °C)
Boiling point: 136 °C (at 8 Torr)
logP: 1.10Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

17159-80-7

SMILES

CCOC(=O)C1CCC(O)CC1

InChIKey

BZKQJSLASWRDNE-UHFFFAOYSA-N

InChI

InChI=1S/C9H16O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7-8,10H,2-6H2,1H3

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Names and synonyms

5 names

Cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester
Ethyl 4-hydroxycyclohexylcarboxylate
4-Hydroxycyclohexanecarboxylic acid ethyl ester
4-Hydroxycyclohexane-1-carboxylic acid ethyl ester
Ethyl 4-hydroxycyclohexane-1-carboxylate

Work with Ethyl 4-hydroxycyclohexanecarboxylate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl cyclopropanecarboxylate4606-07-977 % similar Ethyl cyclobutanecarboxylate14924-53-966 % similar Ethyl cyclohexanecarboxylate3289-28-963 % similar Methyl 4-hydroxycyclohexanecarboxylate17449-76-261 % similar Ethyl isonipecotate1126-09-659 % similar Ethyl 4-oxocyclohexanecarboxylate17159-79-459 % similar (-)-Diethyl tartrate13811-71-757 % similar Diethyl tartrate87-91-257 % similar

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

Same formula

Ethyl tetrahydropyran-4-ylacetate103260-44-2 (1R,4R)-Methyl 4-(hydroxymethyl)cyclohexanecarboxylate110928-44-4 Ethyl α-isopropylacetoacetate1522-46-9 Ethyl pivaloylacetate17094-34-7 Butyl levulinate2052-15-5 trans-Ethyl 4-hydroxycyclohexanecarboxylate3618-04-0 (Z)-3-Hexenyl lactate61931-81-5

Elsewhere

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