chempirical

Cyclohexanebutanoic acid

C10H18O2CAS 4441-63-8170.25 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C10H18O2
Molar mass
170.25 g/mol
Exact mass
170.1307 Da
Density
0.9693 g/mL (at 38 °C)
Melting point
29–30 °C
Boiling point
132–134 °C (at 3 Torr)
logP
2.82Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Identifiers

CAS number
4441-63-8
SMILES
O=C(O)CCCC1CCCCC1
InChIKey
UVZMNGNFERVGRC-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h9H,1-8H2,(H,11,12)

Weigh it out

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

Names and synonyms

5 names
  • Cyclohexanebutyric acid
  • 4-Cyclohexylbutyric acid
  • 4-Cyclohexylbutanoic acid
  • NSC 2158
  • NSC 406925

Work with Cyclohexanebutanoic 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

Cyclohexanepropanoic acid701-97-383 % similar Cypionic acid140-77-278 % similar Cyclohexaneacetic acid5292-21-764 % similar Pimelic acid111-16-064 % similar Sebacic acid111-20-664 % similar Pentadecanedioic acid1460-18-064 % similar Heptadecanedioic acid2424-90-064 % similar Eicosanedioic acid2424-92-264 % similar

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

Same formula

Methyl 2-nonenoate111-79-5 Linalool oxide1365-19-1 Hexyl methacrylate142-09-6 Allyl heptanoate142-19-8 9-Decenoic acid14436-32-9 Cyclohexyl butyrate1551-44-6 cis-3-Hexenyl butanoate16491-36-4 (+)-Pinanediol18680-27-8

Elsewhere

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