[(E)-dodec-3-en-1,5-diynyl]benzene

C18H20 — CID 11322329

IUPAC[(E)-dodec-3-en-1,5-diynyl]benzene
SMILESCCCCCCC#C/C=C/C#Cc1ccccc1
InChIInChI=1S/C18H20/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h9-11,13-14,16-17H,2-6H2,1H3/b10-9+
InChIKeyZZXBMPCDVBTXEV-MDZDMXLPSA-N
MW236.36 g/mol
LogP4.57
Rot. Bonds4

About [(E)-dodec-3-en-1,5-diynyl]benzene

[(E)-dodec-3-en-1,5-diynyl]benzene (PubChem CID 11322329) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is [(E)-dodec-3-en-1,5-diynyl]benzene.

Molecular Properties

Compound Name[(E)-dodec-3-en-1,5-diynyl]benzene
PubChem CID11322329
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name[(E)-dodec-3-en-1,5-diynyl]benzene
SMILESCCCCCCC#C/C=C/C#Cc1ccccc1
InChIInChI=1S/C18H20/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h9-11,13-14,16-17H,2-6H2,1H3/b10-9+
InChIKeyZZXBMPCDVBTXEV-MDZDMXLPSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-dodec-3-en-1,5-diynyl]benzene?
The IUPAC name of [(E)-dodec-3-en-1,5-diynyl]benzene (CID 11322329) is [(E)-dodec-3-en-1,5-diynyl]benzene.
What is the SMILES notation for [(E)-dodec-3-en-1,5-diynyl]benzene?
The canonical SMILES for [(E)-dodec-3-en-1,5-diynyl]benzene is CCCCCCC#C/C=C/C#Cc1ccccc1.
What is the InChIKey of [(E)-dodec-3-en-1,5-diynyl]benzene?
The InChIKey is ZZXBMPCDVBTXEV-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H20/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h9-11,13-14,16-17H,2-6H2,1H3/b10-9+.
What are the key properties of [(E)-dodec-3-en-1,5-diynyl]benzene?
[(E)-dodec-3-en-1,5-diynyl]benzene has a molecular weight of 236.36 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dodec-3-en-1,5-diynyl]benzene is sourced from PubChem (CID 11322329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).