chempirical

Civetone

C17H30OCAS 542-46-1250.43 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C17H30O
Molar mass
250.43 g/mol
Exact mass
250.2297 Da
Density
0.917 g/mL (at 334 °C)
Melting point
32.5 °C
Boiling point
343 °C
logP
5.59Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
542-46-1
SMILES
O=C1CCCCCCC/C=CCCCCCCC1
InChIKey
ZKVZSBSZTMPBQR-UPHRSURJSA-N
InChI
InChI=1S/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2/b2-1-

Weigh it out

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

Names and synonyms

6 names
  • 9-Cycloheptadecen-1-one, (9Z)-
  • 9-Cycloheptadecen-1-one, (Z)-
  • (9Z)-9-Cycloheptadecen-1-one
  • cis-Civetone
  • (Z)-Cycloheptadec-9-enone
  • (Z)-Civetone

Work with Civetone

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

Cyclohexanone108-94-167 % similar Cyclooctanone502-49-867 % similar Cyclopentadecanone502-72-767 % similar Cyclododecanone830-13-767 % similar Cyclohexanone-formaldehyde copolymer25054-06-252 % similar Cyclododecene1501-82-250 % similar 11-Heneicosanone19781-72-750 % similar Hexyl ketone462-18-050 % similar

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

Same formula

4-[2-(trans-4-Propylcyclohexyl)ethyl]cyclohexanone117923-32-7 trans-4′-Pentyl[1,1′-bicyclohexyl]-4-one84868-02-0

Elsewhere

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