1-Butoxy-1-oxopropan-2-yl butyl hexanedioate
Basic information
- CAS
5349-64-4- Standard SMILES
CCCCOC(=O)CCCCC(=O)OC(C)C(=O)OCCCC- InChIKey
MQCQQDIHJRCDAL-UHFFFAOYSA-N- Molecular formula
- C17H30O6
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.20423867
Names & identifiers
- Preferred name
- 1-Butoxy-1-oxopropan-2-yl butyl hexanedioate
- IUPAC
- 6-O-(1-butoxy-1-oxopropan-2-yl) 1-O-butyl hexanedioate
Names & synonyms
1-butoxy-1-oxopropan-2-yl butyl hexanedioate5349-64-4DTXSID20277232RefChem:228984DTXCID70228390NSC1270NSC-1270HEXANDIOIC ACID, ESTER WITH BUTYL LACTATEhexanedioic acid 1-butoxycarbonyl-ethyl ester butyl ester
Database identifiers
- CAS
5349-64-4- PubChem CID
- 219673
- DTXSID
DTXSID20277232
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 16
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 353
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Compound notes
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