chempirical

Hexadecanolide

C16H30O2CAS 109-29-5254.41 g/mol

Open in Covalent MOL file
OO
EsterLactone

Properties

Molecular formula
C16H30O2
Molar mass
254.41 g/mol
Exact mass
254.2246 Da
Density
0.93 g/mL
Melting point
33.5–33.8 °C
Boiling point
127–129 °C (at 2.5 Torr)
logP
5.00Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
109-29-5
SMILES
O=C1CCCCCCCCCCCCCCCO1
InChIKey
LOKPJYNMYCVCRM-UHFFFAOYSA-N
InChI
InChI=1S/C16H30O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1-15H2

Weigh it out

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

Names and synonyms

12 names
  • Oxacycloheptadecan-2-one
  • ω-Hexadecalactone
  • Hexadecanoic acid, 16-hydroxy-, o-lactone
  • Hexadecanoic acid, 16-hydroxy-, ο-lactone
  • Dihydroambrettolide
  • 1,16-Hexadecanolide
  • 16-Hexadecanolactone
  • Juniperic acid lactone
  • Cyclohexadecanolide
  • Hexadecanolactone
  • NSC 33546
  • 1-Oxacycloheptadecan-2-one

Work with Hexadecanolide

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

Pentadecalactone106-02-5100 % similar Polycaprolactone24980-41-4100 % similar Caprolactone502-44-3100 % 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

Lauryl methacrylate142-90-5 Palmitoleic acid373-49-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook