2-Octen-4-one

C₈H₁₄OCAS 4643-27-0126.20 g/mol

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Properties

Molecular formula: C₈H₁₄O
Molar mass: 126.20 g/mol
Exact mass: 126.1045 Da
Density: 0.852 g/mL (at 20 °C)
Boiling point: 178 °C
logP: 2.32Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Identifiers

CAS number

4643-27-0

SMILES

CC=CC(=O)CCCC

InChIKey

FMDLEUPBHMCPQV-UHFFFAOYSA-N

InChI

InChI=1S/C8H14O/c1-3-5-7-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3

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

Names and synonyms

1 names

Butyl 1-propenyl ketone

Work with 2-Octen-4-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Hexen-3-one2497-21-454 % similar Oct-1-en-3-one4312-99-650 % similar 5-Nonanone502-56-746 % similar 2-Hexanone591-78-643 % similar Cyclohexenone930-68-743 % similar 3-Heptanone106-35-441 % similar Valeric acid109-52-441 % similar 2-Cyclohepten-1-one1121-66-041 % 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 3-Octen-2-one1669-44-9 2-(5-Hexen-1-yl)oxirane19600-63-6 2-Octyn-1-ol20739-58-6 Cyclohexyl vinyl ether2182-55-0 (E)-2-Octenal2548-87-0

Elsewhere

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