dodec-2-en-5,10-diyne

C12H16 — CID 123631331

IUPACdodec-2-en-5,10-diyne
SMILESCC#CCCCC#CCC=CC
InChIInChI=1S/C12H16/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5H,7-8,10,12H2,1-2H3
InChIKeySPUPPTFSHHXELF-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.15
Rot. Bonds3

About dodec-2-en-5,10-diyne

dodec-2-en-5,10-diyne (PubChem CID 123631331) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is dodec-2-en-5,10-diyne.

Molecular Properties

Compound Namedodec-2-en-5,10-diyne
PubChem CID123631331
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Namedodec-2-en-5,10-diyne
SMILESCC#CCCCC#CCC=CC
InChIInChI=1S/C12H16/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5H,7-8,10,12H2,1-2H3
InChIKeySPUPPTFSHHXELF-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.15
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-2-en-5,10-diyne?
The IUPAC name of dodec-2-en-5,10-diyne (CID 123631331) is dodec-2-en-5,10-diyne.
What is the SMILES notation for dodec-2-en-5,10-diyne?
The canonical SMILES for dodec-2-en-5,10-diyne is CC#CCCCC#CCC=CC.
What is the InChIKey of dodec-2-en-5,10-diyne?
The InChIKey is SPUPPTFSHHXELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5H,7-8,10,12H2,1-2H3.
What are the key properties of dodec-2-en-5,10-diyne?
dodec-2-en-5,10-diyne has a molecular weight of 160.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-2-en-5,10-diyne is sourced from PubChem (CID 123631331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).