3-Octen-2-one

C₈H₁₄OCAS 1669-44-9126.20 g/mol

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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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

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

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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