Bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate
Basic information
- CAS
228853-14-3- Standard SMILES
CC(C)CCOC(=O)C1CCCCC1C(=O)OCCC(C)C- InChIKey
FTQQZEVRNWXZBS-UHFFFAOYSA-N- Molecular formula
- C18H32O4
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.2300595
Names & identifiers
- Preferred name
- Bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate
- IUPAC
- bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate
Names & synonyms
228853-14-3bis(3-methylbutyl) cyclohexane-1,2-dicarboxylateNSC685511,2-Cyclohexanedicarboxylic acid, bis(3-methylbutyl) esterSCHEMBL780426DTXSID10290430NSC-68551
Database identifiers
- CAS
228853-14-3- PubChem CID
- 249840
- DTXSID
DTXSID10290430- Nikkaji
- J559.829J
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 315
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Compound notes
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