4-Undecanone

C₁₁H₂₂OCAS 14476-37-0170.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₂₂O
Molar mass: 170.30 g/mol
Exact mass: 170.1671 Da
Density: 0.8274 g/mL (at 25 °C)
Melting point: 4.5 °C
Boiling point: 106–107 °C (at 12 Torr)
logP: 3.72Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

14476-37-0

SMILES

CCCCCCCC(=O)CCC

InChIKey

NBSLHMOSERBUOV-UHFFFAOYSA-N

InChI

InChI=1S/C11H22O/c1-3-5-6-7-8-10-11(12)9-4-2/h3-10H2,1-2H3

Weigh it out

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

Names and synonyms

2 names

Heptyl propyl ketone
NSC 158509

Work with 4-Undecanone

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

4-Decanone624-16-8100 % similar 4-Nonanone4485-09-095 % similar 11-Heneicosanone19781-72-790 % similar Hexyl ketone462-18-090 % similar 18-Pentatriacontanone504-53-090 % similar Nonyl ketone504-57-490 % similar 12-Tricosanone540-09-090 % similar 14-Heptacosanone542-50-790 % 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 Undecanal112-44-7 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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