chempirical

Citronellal

C10H18OCAS 106-23-0154.25 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C10H18O
Molar mass
154.25 g/mol
Exact mass
154.1358 Da
Density
0.8573 g/mL (at 20 °C)
Boiling point
47 °C (at 1 Torr)
logP
2.96Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Identifiers

CAS number
106-23-0
SMILES
CC(C)=CCCC(C)CC=O
InChIKey
NEHNMFOYXAPHSD-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3

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

Names and synonyms

11 names
  • 6-Octenal, 3,7-dimethyl-
  • 3,7-Dimethyl-6-octenal
  • 3,7-Dimethyloct-6-en-1-al
  • Rhodinal
  • β-Citronellal
  • 2,3-Dihydrocitral
  • Dl-Citronellal
  • (±)-Citronellal
  • NSC 46106
  • rac-Citronellal
  • 2,6-Dimethylhept-5-enecarboxaldehyde

Work with Citronellal

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

Same formula

P-Menthan-3-one10458-14-7 (-)-α-Terpineol10482-56-1 3-Decen-2-one10519-33-2 Geraniol106-24-1 Nerol106-25-2 Isoborneol124-76-5 (-)-Linalool126-91-0 (-)-Menthone14073-97-3

Elsewhere

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