Basic information
- Standard SMILES
O=C(C=Cc1ccccc1)C=Cc1ccccc1- InChIKey
WMKGGPCROCCUDY-UHFFFAOYSA-N- Molecular formula
- C17H14O
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.10446507
Overview
structure in first source
Names & identifiers
- Preferred name
- Dibenzylidene acetone
- IUPAC
- 1,5-diphenylpenta-1,4-dien-3-one
Names & synonyms
Dibenzylidene acetoneRefChem:2210241,4-Pentadien-3-one, 1,5-diphenyl-1,5-diphenyl-penta-1,4-dien-3-onedibenzilideneacetoneChemDiv3_000027SCHEMBL20846orb1705715DTXSID0060224STR015391,5-Diphenyl-1,4-pentadiene-3-oneAKOS025243164
Show more names
NCI60_007013SY046556DB-029641NS00032858Q415885071,5-Diphenyl-1,4-pentadien-3-one, trans,trans-1,5-Diphenyl-1,4-pentadien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
Database identifiers
- CAS
538-58-9- PubChem CID
- 95417
- DTXSID
DTXSID0060224
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 272
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Safety & regulation
Hazard information
Regulatory InformationChemical: 1,4-Pentadien-3-one, 1,5-diphenyl-
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Pentadien-3-one, 1,5-diphenyl-: ACTIVE
Related reactions
2,673 records
Linked notes
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