Citronellic acid
Properties
- Molecular formula
- C10H18O2
- Molar mass
- 170.25 g/mol
- Exact mass
- 170.1307 Da
- Density
- 0.9325 g/mL (at 15 °C)
- Boiling point
- 258 °C
- logP
- 2.84Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 5
Identifiers
CAS number
502-47-6SMILES
CC(C)=CCCC(C)CC(=O)OInChIKey
GJWSUKYXUMVMGX-UHFFFAOYSA-NInChI
InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- 6-Octenoic acid, 3,7-dimethyl-
- 3,7-Dimethyl-6-octenoic acid
- Rhodinic acid
Work with Citronellic acid
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
(±)-3-Methyladipic acid3058-01-358 % similar
Citronellol106-22-954 % similar
(+)-Citronellol1117-61-954 % similar
Citronellol26489-01-054 % similar
L-Citronellol7540-51-454 % similar
Citronellal106-23-053 % similar
(R)-Citronellal2385-77-553 % similar
Citronellyl nitrile51566-62-253 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds