chempirical

3-Methyl-3-penten-2-one

C6H10OCAS 565-62-898.14 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C6H10O
Molar mass
98.14 g/mol
Exact mass
98.0732 Da
Density
0.874 g/mL (at 15 °C)
Melting point
158–160 °C
Boiling point
136–138 °C
logP
1.54Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
565-62-8
SMILES
CC=C(C)C(C)=O
InChIKey
ZAMCMCQRTZKGDX-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O/c1-4-5(2)6(3)7/h4H,1-3H3

Weigh it out

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

Names and synonyms

4 names
  • 3-Penten-2-one, 3-methyl-
  • 2-Oxo-3-methyl-3-pentene
  • 3-Methyl-2-penten-4-one
  • NSC 75836

Work with 3-Methyl-3-penten-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Angelic acid565-63-950 % similar Tiglic acid80-59-150 % similar Methyl tiglate6622-76-046 % similar Diacetyl431-03-844 % similar 3-Methyl-4-phenyl-3-buten-2-one1901-26-441 % similar Ethyl tiglate5837-78-541 % similar (Z)-3-Hexenyl tiglate67883-79-837 % similar Benzyl tiglate37526-88-833 % similar

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

Same formula

3-Hexyn-1-ol1002-28-4 2-(3-Buten-1-yl)oxirane10353-53-4 1-Hexyn-3-ol105-31-7 Cyclohexanone108-94-1 5-Hexen-2-one109-49-9 3-Hexyn-2-ol109-50-2 2,4-Hexadien-1-ol111-28-4 2-Methylcyclopentanone1120-72-5

Elsewhere

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