chempirical

Peachflure

C20H38OCAS 63408-44-6294.52 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C20H38O
Molar mass
294.52 g/mol
Exact mass
294.2923 Da
logP
7.00Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
16
Double bonds
ZE/Z, in SMILES order

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
63408-44-6
SMILES
CCCCCCCCCC(=O)CC/C=C\CCCCCC
InChIKey
HVUBXNQWXJBVHB-SQFISAMPSA-N
InChI
InChI=1S/C20H38O/c1-3-5-7-9-11-13-15-17-19-20(21)18-16-14-12-10-8-6-4-2/h13,15H,3-12,14,16-19H2,1-2H3/b15-13-

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

Names and synonyms

1 names
  • (Z)-Icos-13-en-10-one

Work with Peachflure

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

11-Heneicosanone19781-72-769 % similar Hexyl ketone462-18-069 % similar 18-Pentatriacontanone504-53-069 % similar Nonyl ketone504-57-469 % similar 12-Tricosanone540-09-069 % similar Civetone542-46-169 % similar 14-Heptacosanone542-50-769 % similar Diheptyl ketone818-23-569 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook