Buciclic acid

C₁₁H₂₀O₂CAS 38289-28-0184.28 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₁H₂₀O₂
Molar mass: 184.28 g/mol
Exact mass: 184.1463 Da
Melting point: 35.2 °C
logP: 3.07Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4
Stereocentres: r, sin SMILES atom order

Identifiers

CAS number

38289-28-0

SMILES

CCCC[C@H]1CC[C@H](C(=O)O)CC1

InChIKey

BALGERHMIXFENA-MGCOHNPYNA-N

InChI

InChI=1/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10-

Weigh it out

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

Names and synonyms

8 names

Cyclohexanecarboxylic acid, 4-butyl-, trans-
trans-4-Butylcyclohexanecarboxylic acid
trans-4-Butylcyclohexane-1-carboxylic acid
Bucyclic acid
CDB 2725
ZhKM 897
trans-4-Butylcyclohexylcarboxylic acid
trans-4-Butylcyclohexane carboxylate

Work with Buciclic 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-Pentylcyclohexanecarboxylic acid38289-29-189 % similar (Trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-carboxylic acid65355-33-181 % similar (Trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-carboxylic acid65355-32-071 % similar Rhodium(III) 2-ethylhexanoate20845-92-569 % similar 2-Hexyldecanoic acid25354-97-667 % similar 2-Ethylhexanoic acid149-57-565 % similar Valproic acid99-66-164 % similar Butylmalonic acid534-59-860 % 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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