Basic information
- CAS
118909-87-8- Standard SMILES
C=CCOc1ccc(OC(=O)c2ccc3c(c2)OCCOCCOCCOCCO3)cc1- InChIKey
NTMZGNTXVUSSDC-UHFFFAOYSA-N- Molecular formula
- C24H28O8
- Average molar mass
- 444.5 g/mol
- Monoisotopic mass
- 444.17841785
Names & identifiers
- Preferred name
- (4-Prop-2-enoxyphenyl) 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxylate
- IUPAC
- (4-prop-2-enoxyphenyl) 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxylate
Names & synonyms
118909-87-8DTXSID2011084374-(2-Propen-1-yloxy)phenyl 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-carboxylate
Database identifiers
- CAS
118909-87-8- PubChem CID
- 165367403
- DTXSID
DTXSID201108437
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 534
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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