Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester
Basic information
- CAS
22915-40-8- Standard SMILES
CCCCOC(=O)C1C2C=CC(C2)C1C(=O)OCCCC- InChIKey
JFFRIBIWDZTESQ-UHFFFAOYSA-N- Molecular formula
- C17H26O4
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.18310931
Names & identifiers
- Preferred name
- Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester
- IUPAC
- dibutyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Names & synonyms
22915-40-8NSC68017dibutyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylateBicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl esterSCHEMBL1451061DTXSID00290323JFFRIBIWDZTESQ-UHFFFAOYSA-NNSC-68017
Database identifiers
- CAS
22915-40-8- PubChem CID
- 249582
- DTXSID
DTXSID00290323
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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