4-(4-Methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid
Basic information
- CAS
107821-52-3- Standard SMILES
CC(C)=CCCC1=CCC(C(=O)O)C(C(=O)O)C1- InChIKey
IOFGDWLJZRGXRM-UHFFFAOYSA-N- Molecular formula
- C14H20O4
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.13615911
Names & identifiers
- Preferred name
- 4-(4-Methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid
- IUPAC
- 4-(4-methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid
Names & synonyms
CHEMBL3144154-(4-METHYLPENT-3-EN-1-YL)CYCLOHEX-4-ENE-1,2-DICARBOXYLIC ACID107821-52-34-(4-methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acidOprea1_724370SCHEMBL28753497DTXSID70396149BDBM50108515STL560987AKOS0304876754-(4-Methyl-pent-3-enyl)-cyclohex-4-ene-1,2-dicarboxylic acid
Database identifiers
- CAS
107821-52-3- PubChem CID
- 3768552
- DTXSID
DTXSID70396149- ChEMBL
CHEMBL314415- Nikkaji
- J1.676.940A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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