1,7-Dioxacycloheptadecan-8-one

C₁₅H₂₈O₃CAS 3391-83-1256.39 g/mol

Open in Covalent MOL file

Ester Ether Lactone

Properties

Molecular formula: C₁₅H₂₈O₃
Molar mass: 256.39 g/mol
Exact mass: 256.2038 Da
Melting point: 35 °C
Boiling point: 120 °C (at 3 Torr)
logP: 3.85Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

3391-83-1

SMILES

O=C1CCCCCCCCCOCCCCCO1

InChIKey

MKEIDVFLAWJKMY-UHFFFAOYSA-N

InChI

InChI=1S/C15H28O3/c16-15-11-7-4-2-1-3-5-8-12-17-13-9-6-10-14-18-15/h1-14H2

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

Names and synonyms

3 names

Decanoic acid, 10-[(5-hydroxypentyl)oxy]-, ο-lactone
Musk R 1
11-Oxa-16-hexadecanolide

Work with 1,7-Dioxacycloheptadecan-8-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

1,6-Dioxacycloheptadecan-7-one6707-60-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook