chempirical

Phorone

C9H14OCAS 504-20-1138.21 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C9H14O
Molar mass
138.21 g/mol
Exact mass
138.1045 Da
Density
0.9 g/mL
Melting point
28 °C
Boiling point
198 °C
logP
2.49Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
504-20-1
SMILES
CC(C)=CC(=O)C=C(C)C
InChIKey
MTZWHHIREPJPTG-UHFFFAOYSA-N
InChI
InChI=1S/C9H14O/c1-7(2)5-9(10)6-8(3)4/h5-6H,1-4H3

Weigh it out

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

Names and synonyms

8 names
  • 2,5-Heptadien-4-one, 2,6-dimethyl-
  • 2,6-Dimethyl-2,5-heptadien-4-one
  • Diisopropylidene acetone
  • Sym-Diisopropylidene acetone
  • Diisobutenyl ketone
  • Foron
  • NSC 38718
  • NSC 403517

Work with Phorone

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

Same formula

1-Hydroxy-6,6-dimethyl-2-heptene-4-yne114311-70-5 2-Pentylfuran3777-69-3 2,3,4,5-Tetramethyl-2-cyclopentenone54458-61-6 Trans,cis-2,6-nonadienal557-48-2 (E,E)-2,4-Nonadienal5910-87-2 2,4-Nonadienal6750-03-4 Triplal68039-49-6 Isophorone78-59-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia