chempirical

6-Undecanone

C11H22OCAS 927-49-1170.30 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C11H22O
Molar mass
170.30 g/mol
Exact mass
170.1671 Da
Density
0.8169 g/mL (at 15 °C)
Melting point
14.5 °C
Boiling point
228 °C
logP
3.72Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
8

Hazards

Not classified as hazardous under GHS by 6 ECHA notifiers. Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
927-49-1
SMILES
CCCCCC(=O)CCCCC
InChIKey
ZPQAKYPOZRXKFA-UHFFFAOYSA-N
InChI
InChI=1S/C11H22O/c1-3-5-7-9-11(12)10-8-6-4-2/h3-10H2,1-2H3

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Names and synonyms

4 names
  • Dipentyl ketone
  • Amyl ketone
  • Pentyl ketone
  • Diamyl ketone

Work with 6-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

11-Heneicosanone19781-72-794 % similar Hexyl ketone462-18-094 % similar 18-Pentatriacontanone504-53-094 % similar Nonyl ketone504-57-494 % similar 12-Tricosanone540-09-094 % similar 14-Heptacosanone542-50-794 % similar Diheptyl ketone818-23-594 % similar 5-Dodecanone19780-10-089 % 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 4-Undecanone14476-37-0 3-Undecanone2216-87-7 4-(1,1-Dimethylpropyl)cyclohexanol5349-51-9 2,2-Dimethyl-5-pentyltetrahydrofuran53684-53-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook