[(E)-dodec-1-en-3-ynyl]benzene

C18H24 — CID 101385247

IUPAC[(E)-dodec-1-en-3-ynyl]benzene
SMILESCCCCCCCCC#C/C=C/c1ccccc1
InChIInChI=1S/C18H24/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11-17H,2-8H2,1H3/b15-12+
InChIKeyVNRAVDKRRNYIIT-NTCAYCPXSA-N
MW240.39 g/mol
LogP5.45
Rot. Bonds7

About [(E)-dodec-1-en-3-ynyl]benzene

[(E)-dodec-1-en-3-ynyl]benzene (PubChem CID 101385247) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is [(E)-dodec-1-en-3-ynyl]benzene.

Molecular Properties

Compound Name[(E)-dodec-1-en-3-ynyl]benzene
PubChem CID101385247
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name[(E)-dodec-1-en-3-ynyl]benzene
SMILESCCCCCCCCC#C/C=C/c1ccccc1
InChIInChI=1S/C18H24/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11-17H,2-8H2,1H3/b15-12+
InChIKeyVNRAVDKRRNYIIT-NTCAYCPXSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.45
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-1-en-3-ynyl]benzene?
The IUPAC name of [(E)-dodec-1-en-3-ynyl]benzene (CID 101385247) is [(E)-dodec-1-en-3-ynyl]benzene.
What is the SMILES notation for [(E)-dodec-1-en-3-ynyl]benzene?
The canonical SMILES for [(E)-dodec-1-en-3-ynyl]benzene is CCCCCCCCC#C/C=C/c1ccccc1.
What is the InChIKey of [(E)-dodec-1-en-3-ynyl]benzene?
The InChIKey is VNRAVDKRRNYIIT-NTCAYCPXSA-N. The full InChI is InChI=1S/C18H24/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11-17H,2-8H2,1H3/b15-12+.
What are the key properties of [(E)-dodec-1-en-3-ynyl]benzene?
[(E)-dodec-1-en-3-ynyl]benzene has a molecular weight of 240.39 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dodec-1-en-3-ynyl]benzene is sourced from PubChem (CID 101385247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).