chempirical

trans-4-tert-Butylcyclohexanecarboxylic acid

C11H20O2CAS 943-29-3184.28 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C11H20O2
Molar mass
184.28 g/mol
Exact mass
184.1463 Da
Melting point
173–176 °C
logP
2.92Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Stereocentres
r, rin SMILES atom order

Identifiers

CAS number
943-29-3
SMILES
CC(C)(C)[C@H]1CC[C@H](C(=O)O)CC1
InChIKey
QVQKEGYITJBHRQ-KYZUINATNA-N
InChI
InChI=1/C11H20O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)/t8-,9-

Weigh it out

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

Names and synonyms

5 names
  • Cyclohexanecarboxylic acid, 4-(1,1-dimethylethyl)-, trans-
  • Cyclohexanecarboxylic acid, 4-tert-butyl-, trans-
  • trans-4-(1,1-Dimethylethyl)cyclohexanecarboxylic acid
  • trans-4-tert-Butylcyclohexanoic acid
  • trans-4-tert-Butyl-1-cyclohexanecarboxylic acid

Work with trans-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

4-tert-Butylcyclohexanecarboxylic acid5451-55-8100 % 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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