3-Octen-2-one

C8H14OCAS 1669-44-9126.20 g/mol

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O
AlkeneKetone

Properties

Molecular formula
C8H14O
Molar mass
126.20 g/mol
Exact mass
126.1045 Da
Boiling point
69–70 °C (at 11 Torr)
logP
2.32Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Hazards

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

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Identifiers

CAS number
1669-44-9
SMILES
CCCCC=CC(C)=O
InChIKey
ZCFOBLITZWHNNC-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3

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Names and synonyms

1 names
  • 1-Hexenyl methyl ketone

Work with 3-Octen-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-Nonen-2-one14309-57-088 % similar 3-Decen-2-one10519-33-285 % similar 3-Hepten-2-one1119-44-476 % similar trans-2-Octenoic acid1871-67-650 % similar (5E)-5-Decene7433-56-950 % similar Undecenoyl chloride27236-80-248 % similar Dodec-2-enoic acid32466-54-948 % similar trans-2-Decenoic acid334-49-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dimethyl-1-hexyn-3-ol107-54-0 Sulcatone110-93-0 3-Octyn-1-ol14916-80-4 2-(5-Hexen-1-yl)oxirane19600-63-6 2-Octyn-1-ol20739-58-6 Cyclohexyl vinyl ether2182-55-0 (E)-2-Octenal2548-87-0 2,6-Dimethylcyclohexanone2816-57-1

Elsewhere

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