Basic information
- Standard SMILES
CC(C)CCCCCOC(=O)C=CC(=O)OCCCCCC(C)C- InChIKey
QIGLLCHDIZAZFE-UHFFFAOYSA-N- Molecular formula
- C20H36O4
- Average molar mass
- 340.5 g/mol
- Monoisotopic mass
- 340.26135963
Overview
See also: Diisooctyl maleate (annotation moved to).
Names & identifiers
- Preferred name
- Bis(6-methylheptyl) but-2-enedioate
- IUPAC
- bis(6-methylheptyl) but-2-enedioate
Names & synonyms
bis(6-methylheptyl) but-2-enedioate2-Butenedioic acid(2E)-, diisooctyl ester2-Butenedioic acid (2Z)-, 1,4-diisooctyl esterSCHEMBL394072DTXSID70859623NS00024260NS00081068
Database identifiers
- PubChem CID
- 73997
- DTXSID
DTXSID70859623
Properties
Computed structural properties
- XLogP
- 6.5
- 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
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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