chempirical

(Trans,trans)-4′-ethyl[1,1′-bicyclohexyl]-4-carboxylic acid

C15H26O2CAS 84976-67-0238.37 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C15H26O2
Molar mass
238.37 g/mol
Exact mass
238.1933 Da
logP
4.09Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3
Stereocentres
r, r, r, rin SMILES atom order

Identifiers

CAS number
84976-67-0
SMILES
CC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)O)CC2)CC1
InChIKey
OQIHEFMTIUJJET-HDRKRICHNA-N
InChI
InChI=1/C15H26O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h11-14H,2-10H2,1H3,(H,16,17)/t11-,12-,13-,14-

Weigh it out

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

Names and synonyms

3 names
  • [1,1′-Bicyclohexyl]-4-carboxylic acid, 4′-ethyl-, (trans,trans)-
  • trans-4-(4-Ethylcyclohexyl)cyclohexanecarboxylic acid
  • trans-4-(trans-4-Ethylcyclohexyl)cyclohexanecarboxylic acid

Work with (Trans,trans)-4′-ethyl[1,1′-bicyclohexyl]-4-carboxylic 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,trans)-4′-propyl[1,1′-bicyclohexyl]-4-carboxylic acid65355-32-071 % similar (Trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-carboxylic acid65355-33-165 % similar 4-(1-Methylethyl)cyclohexanecarboxylic acid62067-45-258 % similar trans-4-(1-Methylethyl)cyclohexanecarboxylic acid7077-05-658 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-758 % similar 1,4-Cyclohexanedicarboxylic acid619-81-858 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-958 % similar Buciclic acid38289-28-058 % similar

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

Same formula

Geranyl isovalerate109-20-6 Isobornyl isovalerate7779-73-9

Elsewhere

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