Butanedioic acid;2-ethylhexan-1-ol;hexanedioic acid;methanol;8-methylnonanoic acid;pentanedioic acid
Basic information
- CAS
68956-51-4- Standard SMILES
CC(C)CCCCCCC(=O)O.CCCCC(CC)CO.CO.O=C(O)CCC(=O)O.O=C(O)CCCC(=O)O.O=C(O)CCCCC(=O)O- InChIKey
QWBGNIDGNGBPNV-UHFFFAOYSA-N- Molecular formula
- C34H66O16
- Average molar mass
- 730.9 g/mol
- Monoisotopic mass
- 730.43508601
Names & identifiers
- Preferred name
- Butanedioic acid;2-ethylhexan-1-ol;hexanedioic acid;methanol;8-methylnonanoic acid;pentanedioic acid
- IUPAC
- butanedioic acid;2-ethylhexan-1-ol;hexanedioic acid;methanol;8-methylnonanoic acid;pentanedioic acid
Database identifiers
- CAS
68956-51-4- PubChem CID
- 111469
Properties
Computed structural properties
- Topological polar surface area
- 302 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 24
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 484
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Related reactions
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Compound notes
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