2-Dodecenedioic acid, dimethyl ester, (E)-
Basic information
- CAS
13038-20-5- Standard SMILES
COC(=O)C=CCCCCCCCCC(=O)OC- InChIKey
XKZYDAGFYXSVFG-UHFFFAOYSA-N- Molecular formula
- C14H24O4
- Average molar mass
- 256.34 g/mol
- Monoisotopic mass
- 256.16745924
Names & identifiers
- Preferred name
- 2-Dodecenedioic acid, dimethyl ester, (E)-
- IUPAC
- dimethyl dodec-2-enedioate
Names & synonyms
13038-20-52-Dodecenedioic acid, dimethyl ester, (E)-DTXSID30336561RefChem:260186DTXCID80287650dimethyl dodecenediatedimethyl dodec-2-enedioateSCHEMBL11745557
Database identifiers
- CAS
13038-20-5- PubChem CID
- 534595
- DTXSID
DTXSID30336561
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
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Compound notes
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