dodec-1-en-11-yne

C12H20 — CID 10997389

IUPACdodec-1-en-11-yne
SMILESC#CCCCCCCCCC=C
InChIInChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h1,4H,2,5-12H2
InChIKeyWPUNRMBXJYFKQG-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.93
Rot. Bonds8

About dodec-1-en-11-yne

dodec-1-en-11-yne (PubChem CID 10997389) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is dodec-1-en-11-yne.

Molecular Properties

Compound Namedodec-1-en-11-yne
PubChem CID10997389
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Namedodec-1-en-11-yne
SMILESC#CCCCCCCCCC=C
InChIInChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h1,4H,2,5-12H2
InChIKeyWPUNRMBXJYFKQG-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dodec-1-en-11-yne?
The IUPAC name of dodec-1-en-11-yne (CID 10997389) is dodec-1-en-11-yne.
What is the SMILES notation for dodec-1-en-11-yne?
The canonical SMILES for dodec-1-en-11-yne is C#CCCCCCCCCC=C.
What is the InChIKey of dodec-1-en-11-yne?
The InChIKey is WPUNRMBXJYFKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h1,4H,2,5-12H2.
What are the key properties of dodec-1-en-11-yne?
dodec-1-en-11-yne has a molecular weight of 164.29 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-1-en-11-yne is sourced from PubChem (CID 10997389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).