3-Nonen-2-one

C9H16OCAS 14309-57-0140.23 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C9H16O
Molar mass
140.23 g/mol
Exact mass
140.1201 Da
Density
0.8478 g/mL (at 20 °C)
Boiling point
72 °C (at 6 Torr)
logP
2.71Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,461 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
14309-57-0
SMILES
CCCCCC=CC(C)=O
InChIKey
HDKLIZDXVUCLHQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3

Weigh it out

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Work with 3-Nonen-2-one

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

3-Decen-2-one10519-33-296 % similar 3-Octen-2-one1669-44-988 % similar 3-Hepten-2-one1119-44-473 % similar trans-2-Octenoic acid1871-67-658 % similar Undecenoyl chloride27236-80-256 % similar Dodec-2-enoic acid32466-54-956 % similar trans-2-Decenoic acid334-49-656 % similar 2-Nonenoic acid3760-11-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyclohexylacetone103-78-6 (+-)-2,6-Dimethyl-5-heptenal106-72-9 1-(2-Propen-1-yl)cyclohexanol1123-34-8 2-Nonenal18829-56-6 3,6-Dimethyl-1-heptyn-3-ol19549-98-5 4-Methyl-1-octyn-4-ol22128-43-4 cis-6-Nonenal2277-19-2 2,2,6-Trimethylcyclohexanone2408-37-9

Elsewhere

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