chempirical

L-Citronellol

C10H20OCAS 7540-51-4156.27 g/mol

Open in Covalent MOL file
OH
AlcoholAlkene

Properties

Molecular formula
C10H20O
Molar mass
156.27 g/mol
Exact mass
156.1514 Da
Boiling point
120 °C (at 16 Torr)
logP
2.75Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
7540-51-4
SMILES
CC(C)=CCC[C@H](C)CCO
InChIKey
QMVPMAAFGQKVCJ-JTQLQIEISA-N
InChI
InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m0/s1

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

Names and synonyms

13 names · show all
  • 6-Octen-1-ol, 3,7-dimethyl-, (3S)-
  • 6-Octen-1-ol, 3,7-dimethyl-, (-)-
  • 6-Octen-1-ol, 3,7-dimethyl-, (S)-
  • (3S)-3,7-Dimethyl-6-octen-1-ol
  • (-)-Citronellol
  • (S)-(-)-Citronellol
  • (S)-Citronellol
  • (S)-β-Citronellol
  • (S)-(-)-β-Citronellol
  • (-)-(S)-Citronellol
  • (-)-β-Citronellol
  • (S)-3,7-Dimethyl-6-octen-1-ol
  • (3S)-3,7-Dimethyloct-6-en-1-ol

Work with L-Citronellol

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

Citronellol26489-01-0100 % similar Citronellyl formate105-85-157 % similar Citronellal106-23-055 % similar (R)-Citronellal2385-77-555 % similar Citronellyl nitrile51566-62-255 % similar (S)-Citronellal5949-05-355 % similar Citronellic acid502-47-654 % similar Citronellyl acetate150-84-551 % similar

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

Same formula

2-Ethylhexyl vinyl ether103-44-6 Citronellol106-22-9 (+)-Citronellol1117-61-9 Decanal112-31-2 9-Decen-1-ol13019-22-2 2-tert-Butylcyclohexanol13491-79-7 Menthol1490-04-6 (+)-Menthol15356-60-2

Elsewhere

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