4-tert-Butylcyclohexanecarboxylic acid

C₁₁H₂₀O₂CAS 5451-55-8184.28 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₁H₂₀O₂
Molar mass: 184.28 g/mol
Exact mass: 184.1463 Da
logP: 2.92Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

5451-55-8

SMILES

CC(C)(C)C1CCC(C(=O)O)CC1

InChIKey

QVQKEGYITJBHRQ-UHFFFAOYSA-N

InChI

InChI=1S/C11H20O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)

Weigh it out

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

Names and synonyms

8 names

Cyclohexanecarboxylic acid, 4-(1,1-dimethylethyl)-
Cyclohexanecarboxylic acid, 4-tert-butyl-
4-(1,1-Dimethylethyl)cyclohexanecarboxylic acid
NSC 176105
NSC 176107
NSC 48094
4-tert-Butylcyclohexane-1-carboxylic acid
4-tert-Butylcyclohexanoic acid

Work with 4-tert-Butylcyclohexanecarboxylic 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

trans-4-tert-Butylcyclohexanecarboxylic acid943-29-3100 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-763 % similar 1,4-Cyclohexanedicarboxylic acid619-81-863 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-963 % similar 4-(Trifluoromethyl)cyclohexanecarboxylic acid133261-33-360 % similar 4-(Trifluoromethyl)cyclohexanecarboxylic acid95233-30-060 % similar Cyclopentanecarboxylic acid3400-45-158 % similar Cyclobutanecarboxylic acid3721-95-758 % similar

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

Same formula

2-Ethylhexyl acrylate103-11-7 γ-Undecalactone104-67-6 Citronellyl formate105-85-1 2,2,6,6-Tetramethyl-3,5-heptanedione1118-71-4 Undecylenic acid112-38-9 Octyl acrylate2499-59-4 cis-3-Hexenyl isovalerate35154-45-1 cis-3-Hexenyl valerate35852-46-1

Elsewhere

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