(Z)-dodec-5-en-7-yne

C12H20 — CID 5367447

IUPAC(Z)-dodec-5-en-7-yne
SMILESCCCCC#C/C=C\CCCC
InChIInChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h9,11H,3-8H2,1-2H3/b11-9-
InChIKeyRAWCIZOYSXHPJN-LUAWRHEFSA-N
MW164.29 g/mol
LogP3.93
Rot. Bonds5

About (Z)-dodec-5-en-7-yne

(Z)-dodec-5-en-7-yne (PubChem CID 5367447) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (Z)-dodec-5-en-7-yne.

Molecular Properties

Compound Name(Z)-dodec-5-en-7-yne
PubChem CID5367447
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(Z)-dodec-5-en-7-yne
SMILESCCCCC#C/C=C\CCCC
InChIInChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h9,11H,3-8H2,1-2H3/b11-9-
InChIKeyRAWCIZOYSXHPJN-LUAWRHEFSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.93
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 (Z)-dodec-5-en-7-yne?
The IUPAC name of (Z)-dodec-5-en-7-yne (CID 5367447) is (Z)-dodec-5-en-7-yne.
What is the SMILES notation for (Z)-dodec-5-en-7-yne?
The canonical SMILES for (Z)-dodec-5-en-7-yne is CCCCC#C/C=C\CCCC.
What is the InChIKey of (Z)-dodec-5-en-7-yne?
The InChIKey is RAWCIZOYSXHPJN-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h9,11H,3-8H2,1-2H3/b11-9-.
What are the key properties of (Z)-dodec-5-en-7-yne?
(Z)-dodec-5-en-7-yne has a molecular weight of 164.29 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-dodec-5-en-7-yne is sourced from PubChem (CID 5367447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).