chempirical

Cyclohexyl butyrate

C10H18O2CAS 1551-44-6170.25 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C10H18O2
Molar mass
170.25 g/mol
Exact mass
170.1307 Da
Density
0.9395 g/mL (at 15 °C)
Boiling point
213 °C
logP
2.66Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
1551-44-6
SMILES
CCCC(=O)OC1CCCCC1
InChIKey
VZHUBBUZNIULNM-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9H,2-8H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Butanoic acid, cyclohexyl ester
  • Butyric acid, cyclohexyl ester
  • Cyclohexyl butanoate
  • Cyclohexyl n-butyrate
  • NSC 53950

Work with Cyclohexyl butyrate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

γ-Undecalactone104-67-679 % similar ε-Dodecalactone16429-21-379 % similar δ-Tetradecalactone2721-22-479 % similar Gamma-decalactone706-14-979 % similar δ-Undecalactone710-04-379 % similar δ-Dodecalactone713-95-179 % similar Gamma-nonalactone104-61-076 % similar δ-Decalactone705-86-276 % similar

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

Same formula

Methyl 2-nonenoate111-79-5 Hexyl methacrylate142-09-6 Allyl heptanoate142-19-8 9-Decenoic acid14436-32-9 cis-3-Hexenyl butanoate16491-36-4 (+)-Pinanediol18680-27-8 1-Octen-3-yl acetate2442-10-6 4-Decenoic acid26303-90-2

Elsewhere

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