Basic information
- CAS
56970-73-1- Standard SMILES
CCCCCCC(C)OC(=O)C=CC(=O)OC(C)CCCCCC- InChIKey
GUURYVGBDPXTOK-UHFFFAOYSA-N- Molecular formula
- C20H36O4
- Average molar mass
- 340.5 g/mol
- Monoisotopic mass
- 340.26135963
Names & identifiers
- Preferred name
- Di(octan-2-yl) but-2-enedioate
- IUPAC
- dioctan-2-yl but-2-enedioate
Names & synonyms
97298-48-1Bis(1-methylheptyl) 2-butenedioateSCHEMBL7064102DTXSID80866601Di(octan-2-yl) but-2-enedioate1,4-Bis(1-methylheptyl) 2-butenedioateNS00121755
Database identifiers
- CAS
56970-73-1、97298-48-1- PubChem CID
- 62124
- DTXSID
DTXSID80866601
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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