trans-4-(Hydroxymethyl)cyclohexanecarboxylic acid

C₈H₁₄O₃CAS 66185-74-8158.20 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₈H₁₄O₃
Molar mass: 158.20 g/mol
Exact mass: 158.0943 Da
logP: 0.87Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

66185-74-8

SMILES

C1CC(CCC1CO)C(=O)O

InChIKey

VQMIUUBKKPIDBN-UHFFFAOYSA-N

InChI

InChI=1S/C8H14O3/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7,9H,1-5H2,(H,10,11)

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Names and synonyms

1 names

Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-

Work with trans-4-(Hydroxymethyl)cyclohexanecarboxylic acid

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

1,4-Cyclohexanedicarboxylic acid1076-97-768 % similar Cyclopropanecarboxylic acid1759-53-168 % similar 1,4-Cyclohexanedicarboxylic acid619-81-868 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-968 % similar Tranexamic acid1197-18-861 % similar trans-4-Ethylcyclohexanecarboxylic acid6833-47-261 % similar 4-(Aminomethyl)cyclohexanecarboxylic acid701-54-261 % similar (1s,4r)-4-Propylcyclohexane-1-carboxylic acid38289-27-959 % similar

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

Same formula

Butyric anhydride106-31-0 Ethyl 5-oxohexanoate13984-57-1 tert-Butyl acetoacetate1694-31-1 Methyl 4-hydroxycyclohexanecarboxylate17449-76-2 1,4-Dioxa-spiro[4.5]decan-8-ol22428-87-1 Ethoxyethyl methacrylate2370-63-0 Ethyl 3-oxohexanoate3249-68-1 Methyl 3-oxoheptanoate39815-78-6

Elsewhere

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