5-Dodecanone

C₁₂H₂₄OCAS 19780-10-0184.32 g/mol

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Properties

Molecular formula: C₁₂H₂₄O
Molar mass: 184.32 g/mol
Exact mass: 184.1827 Da
Boiling point: 93–96 °C (at 0.9 Torr)
logP: 4.11Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 9

Hazards

H411 Toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

19780-10-0

SMILES

CCCCCCCC(=O)CCCC

InChIKey

DOXYUCZSYSEALW-UHFFFAOYSA-N

InChI

InChI=1S/C12H24O/c1-3-5-7-8-9-11-12(13)10-6-4-2/h3-11H2,1-2H3

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Names and synonyms

2 names

Butyl heptyl ketone
NSC 158524

Work with 5-Dodecanone

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

11-Heneicosanone19781-72-795 % similar Hexyl ketone462-18-095 % similar 18-Pentatriacontanone504-53-095 % similar Nonyl ketone504-57-495 % similar 12-Tricosanone540-09-095 % similar 14-Heptacosanone542-50-795 % similar Diheptyl ketone818-23-595 % similar 6-Undecanone927-49-189 % similar

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

Same formula

2-Methylundecanal110-41-8 Dodecanal112-54-9 2,6,8-Trimethyl-4-nonanone123-18-2 Dodecan-3-one1534-27-6 Cyclododecanol1724-39-6 1,2-Epoxydodecane2855-19-8 2-Dodecanone6175-49-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook