chempirical

Hydroxycitronellal

C10H20O2CAS 107-75-5172.27 g/mol

Open in Covalent MOL file
OOH
AlcoholAldehyde

Properties

Molecular formula
C10H20O2
Molar mass
172.27 g/mol
Exact mass
172.1463 Da
Density
0.9207 g/mL (at 18.5 °C)
Melting point
22–23 °C
Boiling point
126–127 °C (at 10 Torr)
logP
2.15Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
6

Identifiers

CAS number
107-75-5
SMILES
CC(CC=O)CCCC(C)(C)O
InChIKey
WPFVBOQKRVRMJB-UHFFFAOYSA-N
InChI
InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3

Weigh it out

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

Names and synonyms

18 names · show all
  • Octanal, 7-hydroxy-3,7-dimethyl-
  • 7-Hydroxy-3,7-dimethyloctanal
  • Citronellal hydrate
  • Cyclalia
  • Cyclosia
  • 3,7-Dimethyl-7-hydroxyoctanal
  • Fixol
  • Laurine
  • Lilyl aldehyde
  • Muguet synthetic
  • Muguettine principle
  • Phixia
  • Citronellal, hydroxy-
  • 7-Hydroxycitronellal
  • (±)-Hydroxycitronellal
  • NSC 406740
  • Cyclosia base
  • 3,7-Dimethyl-7-hydroxyoctan-1-al

Work with Hydroxycitronellal

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

7-Methoxy-3,7-dimethyloctanal3613-30-759 % similar 3,7-Dimethyl-1,7-octanediol107-74-456 % similar 2,6-Dimethyl-2-heptanol13254-34-750 % similar 3-Methylpentanedial6280-15-548 % similar 3,5,5-Trimethylhexanal5435-64-347 % similar 2,6-Dimethyl-7-octen-2-ol18479-58-846 % similar 2,5-Dimethyl-2-hexanol3730-60-742 % similar Citronellal106-23-042 % similar

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

Same formula

2-Ethylhexyl acetate103-09-3 Isobutyl hexanoate105-79-3 Ethyl octanoate106-32-1 Octyl acetate112-14-1 4-Ethyloctanoic acid16493-80-4 1,1-Diethoxycyclohexane1670-47-9 Methyl nonanoate1731-84-6 Pentyl pentanoate2173-56-0

Elsewhere

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