chempirical

5-Nonanone

C9H18OCAS 502-56-7142.24 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C9H18O
Molar mass
142.24 g/mol
Exact mass
142.1358 Da
Density
0.8217 g/mL (at 20 °C)
Melting point
−5.9 °C
Boiling point
188.4 °C
logP
2.94Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6

Identifiers

CAS number
502-56-7
SMILES
CCCCC(=O)CCCC
InChIKey
WSGCRAOTEDLMFQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3

Weigh it out

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

Names and synonyms

3 names
  • Butyl ketone
  • Dibutyl ketone
  • NSC 14761

Work with 5-Nonanone

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

5-Dodecanone19780-10-084 % similar 6-Undecanone927-49-183 % similar 11-Heneicosanone19781-72-779 % similar Hexyl ketone462-18-079 % similar Nonyl ketone504-57-479 % similar 14-Heptacosanone542-50-779 % similar Diheptyl ketone818-23-579 % similar 3-Heptanone106-35-475 % similar

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

Same formula

(Z)-3-Nonen-1-ol10340-23-5 Isobutyl ketone108-83-8 3,3,5-Trimethylcyclohexanol116-02-9 Nonanal124-19-6 1-Nonen-3-ol21964-44-3 trans-2-Nonen-1-ol31502-14-4 4,6-Dimethylhept-1-en-4-ol32189-75-6 cis-6-Nonen-1-ol35854-86-5

Elsewhere

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