Basic information
- CAS
1005110-08-6- Standard SMILES
C=CCc1ccccc1C1CC2(C(=O)OC)OC1C(C(=O)OC)=C2C(=O)OC- InChIKey
ZYTMKFVHWPBEFI-UHFFFAOYSA-N- Molecular formula
- C21H22O7
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.13655304
Names & identifiers
- Preferred name
- Trimethyl 5-(2-allylphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-1,2,3-tricarboxylate
- IUPAC
- trimethyl 5-(2-prop-2-enylphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-1,2,3-tricarboxylate
Names & synonyms
NSC6635781005110-08-6Trimethyl 5-(2-allylphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-1,2,3-tricarboxylateCHEMBL1988856DTXSID50327517NSC-663578NCI60_021810trimethyl 6-(2-allylphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3,4-tricarboxylateTrimethyl 5-[2-(prop-2-en-1-yl)phenyl]-7-oxabicyclo[2.2.1]hept-2-ene-1,2,3-tricarboxylate
Database identifiers
- CAS
1005110-08-6- PubChem CID
- 379166
- DTXSID
DTXSID50327517- ChEMBL
CHEMBL1988856
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 710
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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