1-O-[(5S)-5-butyl-8-methylnonyl] 6-O-[(4S)-4-[(2R)-2-methylbutyl]nonyl] hexanedioate
Basic information
- CAS
69227-17-4- Standard SMILES
CCCCC[C@@H](CCCOC(=O)CCCCC(=O)OCCCC[C@H](CCCC)CCC(C)C)C[C@H](C)CC- InChIKey
RAOCGRRIIGUDCV-RTOKGZNSSA-N- Molecular formula
- C34H66O4
- Average molar mass
- 538.9 g/mol
- Monoisotopic mass
- 538.49611058
Names & identifiers
- Preferred name
- 1-O-[(5S)-5-butyl-8-methylnonyl] 6-O-[(4S)-4-[(2R)-2-methylbutyl]nonyl] hexanedioate
- IUPAC
- 1-O-[(5S)-5-butyl-8-methylnonyl] 6-O-[(4S)-4-[(2R)-2-methylbutyl]nonyl] hexanedioate
Names & synonyms
RAOCGRRIIGUDCV-RTOKGZNSSA-NNS00124892
Database identifiers
- CAS
69227-17-4- PubChem CID
- 3085405
Properties
Computed structural properties
- XLogP
- 12.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 29
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 545
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Compound notes
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