chempirical

Undecanal

C11H22OCAS 112-44-7170.30 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C11H22O
Molar mass
170.30 g/mol
Exact mass
170.1671 Da
Density
0.8609 g/mL (at 18 °C)
Melting point
−4 °C
Boiling point
101–103 °C (at 10 Torr)
logP
3.72Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
9

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,877 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P501

Identifiers

CAS number
112-44-7
SMILES
CCCCCCCCCCC=O
InChIKey
KMPQYAYAQWNLME-UHFFFAOYSA-N
InChI
InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3

Weigh it out

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

Names and synonyms

11 names
  • Hendecanal
  • Hendecanaldehyde
  • Undecyl aldehyde
  • n-Undecyl aldehyde
  • Undecylic aldehyde
  • n-Undecanal
  • Undecanaldehyde
  • α-Undecanone
  • 1-Undecanal
  • Undecanylaldehyde
  • NSC 22578

Work with Undecanal

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

Tridecanal10486-19-8100 % similar Heptanal111-71-7100 % similar Decanal112-31-2100 % similar Dodecanal112-54-9100 % similar Octanal124-13-0100 % similar Nonanal124-19-6100 % similar Myristyl aldehyde124-25-4100 % similar Hexanal66-25-194 % similar

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

Same formula

2-Undecanone112-12-9 10-Undecen-1-ol112-43-6 4-Undecanone14476-37-0 3-Undecanone2216-87-7 4-(1,1-Dimethylpropyl)cyclohexanol5349-51-9 2,2-Dimethyl-5-pentyltetrahydrofuran53684-53-0 6-Undecanone927-49-1

Elsewhere

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