Basic information
- CAS
24996-65-4- Standard SMILES
O=C(OCC#CC#CCOC(=O)c1ccccc1)c1ccccc1- InChIKey
JCZJRGIBGWSWTP-UHFFFAOYSA-N- Molecular formula
- C20H14O4
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.08920892
Names & identifiers
- Preferred name
- 2,4-Hexadiynylene dibenzoate
- IUPAC
- 6-benzoyloxyhexa-2,4-diynyl benzoate
Names & synonyms
24996-65-4hexa-2,4-diyne-1,6-diyl dibenzoate2,4-Hexadiynylene dibenzoate2,6-diol, dibenzoateSCHEMBL8649254bis(benzoyloxy-methyl)diacetyleneDTXSID90947859BDBM698930US12605353, Compound C10MFCD00679493NSC156588NSC-156588
Database identifiers
- CAS
24996-65-4- PubChem CID
- 291386
- DTXSID
DTXSID90947859- Nikkaji
- J480.521F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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