chempirical

Caprolactone

C6H10O2CAS 502-44-3114.14 g/mol

Open in Covalent MOL file
OO
EsterLactone

Properties

Molecular formula
C6H10O2
Molar mass
114.14 g/mol
Exact mass
114.0681 Da
Density
1.029 g/mL (at 26 °C)
Melting point
−18 °C
Boiling point
215 °C
logP
1.10Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
502-44-3
SMILES
O=C1CCCCCO1
InChIKey
PAPBSGBWRJIAAV-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2

Weigh it out

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

Names and synonyms

18 names · show all
  • 2-Oxepanone
  • Hexanoic acid, 6-hydroxy-, lactone
  • ε-Caprolactone
  • Epsilon-caprolactone
  • Hexanoic acid, 6-hydroxy-, ε-lactone
  • Hexamethylene oxide, 2-oxo-
  • 6-Hexanolactone
  • 6-Hydroxyhexanoic acid lactone
  • 1,6-Hexanolide
  • Placcel M
  • Caprolactone A
  • 2-Oxooxopane
  • 6-Hexanolide
  • ε-Hexanolactone
  • Tone monomer EC
  • Tone ECEQ
  • Nyrim 1 additive 6
  • C 0702

Work with Caprolactone

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

Pentadecalactone106-02-5100 % similar Hexadecanolide109-29-5100 % similar Polycaprolactone24980-41-4100 % similar Delta-valerolactone542-28-994 % similar 1,7-Dioxacycloheptadecan-8-one3391-83-186 % similar 1,6-Dioxacycloheptadecan-7-one6707-60-486 % similar Ethylene brassylate105-95-384 % similar Gamma-butyrolactone96-48-079 % similar

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

Same formula

2,2-Dimethylbut-3-enoic acid10276-09-2 4-Methyl-2-pentenoic acid10321-71-8 Allyl glycidyl ether106-92-3 1,5-Hexadiene-3,4-diol1069-23-4 Hexanedial1072-21-5 Hexane-2,5-dione110-13-4 β-Methyl-δ-valerolactone1121-84-2 2-Hexenoic acid1191-04-4

Elsewhere

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