chempirical

1,6-Dioxacycloheptadecan-7-one

C15H28O3CAS 6707-60-4256.39 g/mol

Open in Covalent MOL file
OOO
EsterEtherLactone

Properties

Molecular formula
C15H28O3
Molar mass
256.39 g/mol
Exact mass
256.2038 Da
Density
0.9829 g/mL (at 420 °C)
Boiling point
143 °C (at 3 Torr)
logP
3.85Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
6707-60-4
SMILES
O=C1CCCCCCCCCCOCCCCO1
InChIKey
MRMOPGVGWFNHIN-UHFFFAOYSA-N
InChI
InChI=1S/C15H28O3/c16-15-11-7-5-3-1-2-4-6-8-12-17-13-9-10-14-18-15/h1-14H2

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

Names and synonyms

6 names
  • 12-Oxa-1,16-hexadecanolide
  • Cervolide
  • Musk 781
  • NSC 34741
  • 12-Oxahexadecanolide
  • Undecanoic acid, 11-(4-hydroxybutoxy)-, ο-lactone

Work with 1,6-Dioxacycloheptadecan-7-one

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

Pentadecalactone106-02-586 % similar Hexadecanolide109-29-586 % similar Polycaprolactone24980-41-486 % similar Caprolactone502-44-386 % similar Delta-valerolactone542-28-981 % similar Diethylene glycol-ε-caprolactone polymer36890-68-374 % similar Ethylene brassylate105-95-373 % similar Gamma-butyrolactone96-48-068 % similar

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

Same formula

1,7-Dioxacycloheptadecan-8-one3391-83-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook