(±)-Muscone

C16H30OCAS 541-91-3238.41 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C16H30O
Molar mass
238.41 g/mol
Exact mass
238.2297 Da
Density
0.9921 g/mL (at 17 °C)
Boiling point
130 °C (at 0.5 Torr)
logP
5.28Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Not classified as hazardous under GHS by 1,564 ECHA notifiers. Aggregated from 1,564 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
541-91-3
SMILES
CC1CCCCCCCCCCCCC(=O)C1
InChIKey
ALHUZKCOMYUFRB-UHFFFAOYSA-N
InChI
InChI=1S/C16H30O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-14H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Cyclopentadecanone, 3-methyl-
  • Muscone
  • 3-Methylcyclopentadecanone
  • Muskone
  • Moschus ketone
  • Dl-Muscone
  • 3-Methylcyclopentadecan-1-one

Work with (±)-Muscone

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

(RS)-3-Methylcyclohexanone591-24-283 % similar 3-Methylcyclopentanone1757-42-268 % similar 5-Methylcyclohexane-1,3-dione4341-24-654 % similar 4-Methylcyclohexanone589-92-448 % similar Methylcyclohexane108-87-246 % similar Cyclohexanone108-94-146 % similar Cyclodecanone1502-06-346 % similar Cycloheptanone502-42-146 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(Z)-11-Hexadecenal53939-28-9 11-Hexadecyn-1-ol65686-49-9 7-Hexadecyn-1-ol822-21-9 (Trans,trans)-4'-Propyl[1,1'-bicyclohexyl]-4-methanol82562-85-4 (Trans,trans)-4-Methoxy-4′-propyl-1,1′-bicyclohexyl97398-80-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook