chempirical

Ethylene brassylate

C15H26O4CAS 105-95-3270.37 g/mol

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EsterLactone

Properties

Molecular formula
C15H26O4
Molar mass
270.37 g/mol
Exact mass
270.1831 Da
Density
1.018 g/mL (at 60 °C)
Melting point
−8 °C
Boiling point
139–142 °C
logP
3.38Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Identifiers

CAS number
105-95-3
SMILES
O=C1CCCCCCCCCCCC(=O)OCCO1
InChIKey
XRHCAGNSDHCHFJ-UHFFFAOYSA-N
InChI
InChI=1S/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2

Weigh it out

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

Names and synonyms

9 names
  • 1,4-Dioxacycloheptadecane-5,17-dione
  • Tridecanedioic acid, cyclic ethylene ester
  • Ethylene glycol, cyclic tridecanedioate
  • Musk T
  • Astratone
  • Cyclic ethylene tridecanedioate
  • Cyclic ethylene glycol tridecanedioate
  • Emeressence 1150
  • NSC 46155

Work with Ethylene brassylate

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

Pentadecalactone106-02-584 % similar Hexadecanolide109-29-584 % similar Polycaprolactone24980-41-484 % similar Caprolactone502-44-384 % similar Delta-valerolactone542-28-979 % similar Glycol distearate627-83-874 % similar Gamma-butyrolactone96-48-074 % similar 1,7-Dioxacycloheptadecan-8-one3391-83-173 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook