chempirical

Cyclohexyl propionate

C9H16O2CAS 6222-35-1156.22 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C9H16O2
Molar mass
156.22 g/mol
Exact mass
156.1150 Da
Density
0.9529 g/mL (at 20 °C)
Boiling point
193 °C
logP
2.27Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
6222-35-1
SMILES
CCC(=O)OC1CCCCC1
InChIKey
MAMMVUWCKMOLSG-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O2/c1-2-9(10)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Propanoic acid, cyclohexyl ester
  • Propionic acid, cyclohexyl ester
  • Cyclohexyl propanoate
  • NSC 11770

Work with Cyclohexyl propionate

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

Cyclohexyl butyrate1551-44-666 % similar γ-Undecalactone104-67-661 % similar ε-Dodecalactone16429-21-361 % similar δ-Tetradecalactone2721-22-461 % similar Gamma-decalactone706-14-961 % similar δ-Undecalactone710-04-361 % similar δ-Dodecalactone713-95-161 % similar Cyclohexyl isovalerate7774-44-960 % similar

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

Same formula

Gamma-nonalactone104-61-0 2,2,6,6-Tetramethyl-2H-3,5,6-trihydropyran-4-one1197-66-6 Allyl hexanoate123-68-2 Olean180-84-7 2,6-Dimethyl-3,5-heptanedione18362-64-6 Hexyl acrylate2499-95-8 4-Hydroxynonenal29343-52-0 Ethyl cyclohexanecarboxylate3289-28-9

Elsewhere

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