Basic information
- CAS
112400-77-8- Standard SMILES
CCCC(C)COC(=O)CCCC(=O)OCC(CC)CC- InChIKey
ZAUVTPKVJRLZTK-UHFFFAOYSA-N- Molecular formula
- C17H32O4
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.2300595
Names & identifiers
- Preferred name
- 2-Ethylbutyl 2-methylpentyl pentanedioate
- IUPAC
- 5-O-(2-ethylbutyl) 1-O-(2-methylpentyl) pentanedioate
Names & synonyms
DTXSID809207522-ethylbutyl 2-methylpentyl pentanedioate
Database identifiers
- CAS
112400-77-8- PubChem CID
- 86126
- DTXSID
DTXSID80920752
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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