chempirical

(S)-Citronellal

C10H18OCAS 5949-05-3154.25 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
1.0123 g/mL (at 25 °C)
logP
2.96Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Identifiers

CAS number
5949-05-3
SMILES
CC(C)=CCC[C@H](C)CC=O
InChIKey
NEHNMFOYXAPHSD-JTQLQIEISA-N
InChI
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1

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

Names and synonyms

13 names · show all
  • 6-Octenal, 3,7-dimethyl-, (3S)-
  • 6-Octenal, 3,7-dimethyl-, (-)-
  • 6-Octenal, 3,7-dimethyl-, (S)-
  • (3S)-3,7-Dimethyl-6-octenal
  • (-)-Citronellal
  • L-Citronellal
  • S-(-)-Citronellal
  • (S)-(-)-3,7-Dimethyl-6-octenal
  • (-)-β-Citronellal
  • (-)-(S)-Citronellal
  • L-(-)-Citronellal
  • (3S)-3,7-Dimethyloct-6-enal
  • (S)-3,7-Dimethyloct-6-enal

Work with (S)-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 Citronellal106-23-0 Geraniol106-24-1 Nerol106-25-2 Isoborneol124-76-5 (-)-Linalool126-91-0

Elsewhere

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