[(E)-dodec-2-enoyl] (E)-dodec-2-enoate

C24H42O3 — CID 6437933

IUPAC[(E)-dodec-2-enoyl] (E)-dodec-2-enoate
SMILESCCCCCCCCC/C=C/C(=O)OC(=O)/C=C/CCCCCCCCC
InChIInChI=1S/C24H42O3/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-24(26)22-20-18-16-14-12-10-8-6-4-2/h19-22H,3-18H2,1-2H3/b21-19+,22-20+
InChIKeyXNFGZQXMDBREDW-FLFKKZLDSA-N
MW378.60 g/mol
LogP7.45
Rot. Bonds18

About [(E)-dodec-2-enoyl] (E)-dodec-2-enoate

[(E)-dodec-2-enoyl] (E)-dodec-2-enoate (PubChem CID 6437933) has the molecular formula C24H42O3 and a molecular weight of 378.60 g/mol. Its IUPAC name is [(E)-dodec-2-enoyl] (E)-dodec-2-enoate.

Molecular Properties

Compound Name[(E)-dodec-2-enoyl] (E)-dodec-2-enoate
PubChem CID6437933
Molecular FormulaC24H42O3
Molecular Weight378.60 g/mol
Exact Mass378.31
IUPAC Name[(E)-dodec-2-enoyl] (E)-dodec-2-enoate
SMILESCCCCCCCCC/C=C/C(=O)OC(=O)/C=C/CCCCCCCCC
InChIInChI=1S/C24H42O3/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-24(26)22-20-18-16-14-12-10-8-6-4-2/h19-22H,3-18H2,1-2H3/b21-19+,22-20+
InChIKeyXNFGZQXMDBREDW-FLFKKZLDSA-N
XLogP7.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(E)-dodec-2-enoyl] (E)-dodec-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-dodec-2-enoyl] (E)-dodec-2-enoate?
The IUPAC name of [(E)-dodec-2-enoyl] (E)-dodec-2-enoate (CID 6437933) is [(E)-dodec-2-enoyl] (E)-dodec-2-enoate.
What is the SMILES notation for [(E)-dodec-2-enoyl] (E)-dodec-2-enoate?
The canonical SMILES for [(E)-dodec-2-enoyl] (E)-dodec-2-enoate is CCCCCCCCC/C=C/C(=O)OC(=O)/C=C/CCCCCCCCC.
What is the InChIKey of [(E)-dodec-2-enoyl] (E)-dodec-2-enoate?
The InChIKey is XNFGZQXMDBREDW-FLFKKZLDSA-N. The full InChI is InChI=1S/C24H42O3/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-24(26)22-20-18-16-14-12-10-8-6-4-2/h19-22H,3-18H2,1-2H3/b21-19+,22-20+.
What are the key properties of [(E)-dodec-2-enoyl] (E)-dodec-2-enoate?
[(E)-dodec-2-enoyl] (E)-dodec-2-enoate has a molecular weight of 378.60 g/mol, XLogP of 7.45, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dodec-2-enoyl] (E)-dodec-2-enoate is sourced from PubChem (CID 6437933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).