chempirical

2,15-Hexadecanedione

C16H30O2CAS 18650-13-0254.41 g/mol

Open in Covalent MOL file
OO
Ketone

Properties

Molecular formula
C16H30O2
Molar mass
254.41 g/mol
Exact mass
254.2246 Da
logP
4.85Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
13

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
18650-13-0
SMILES
CC(=O)CCCCCCCCCCCCC(=O)C
InChIKey
ANOHLAYDIMKILU-UHFFFAOYSA-N
InChI
InChI=1S/C16H30O2/c1-15(17)13-11-9-7-5-3-4-6-8-10-12-14-16(2)18/h3-14H2,1-2H3

Weigh it out

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

Work with 2,15-Hexadecanedione

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

2-Octanone111-13-775 % similar 2-Undecanone112-12-975 % similar 2-Tetradecanone2345-27-975 % similar 2-Pentadecanone2345-28-075 % similar 2-Tridecanone593-08-875 % similar 2-Dodecanone6175-49-175 % similar 2-Nonadecanone629-66-375 % similar 2-Decanone693-54-975 % similar

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

Same formula

Hexadecanolide109-29-5 Lauryl methacrylate142-90-5 Palmitoleic acid373-49-9

Elsewhere

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