dodec-11-en-2,4-diyn-1-ol

C12H16O — CID 11126805

IUPACdodec-11-en-2,4-diyn-1-ol
SMILESC=CCCCCCC#CC#CCO
InChIInChI=1S/C12H16O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2,13H,1,3-7,12H2
InChIKeyLGNSCSQFQCDGPG-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.12
Rot. Bonds5

About dodec-11-en-2,4-diyn-1-ol

dodec-11-en-2,4-diyn-1-ol (PubChem CID 11126805) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is dodec-11-en-2,4-diyn-1-ol.

Molecular Properties

Compound Namedodec-11-en-2,4-diyn-1-ol
PubChem CID11126805
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Namedodec-11-en-2,4-diyn-1-ol
SMILESC=CCCCCCC#CC#CCO
InChIInChI=1S/C12H16O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2,13H,1,3-7,12H2
InChIKeyLGNSCSQFQCDGPG-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-11-en-2,4-diyn-1-ol?
The IUPAC name of dodec-11-en-2,4-diyn-1-ol (CID 11126805) is dodec-11-en-2,4-diyn-1-ol.
What is the SMILES notation for dodec-11-en-2,4-diyn-1-ol?
The canonical SMILES for dodec-11-en-2,4-diyn-1-ol is C=CCCCCCC#CC#CCO.
What is the InChIKey of dodec-11-en-2,4-diyn-1-ol?
The InChIKey is LGNSCSQFQCDGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2,13H,1,3-7,12H2.
What are the key properties of dodec-11-en-2,4-diyn-1-ol?
dodec-11-en-2,4-diyn-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-11-en-2,4-diyn-1-ol is sourced from PubChem (CID 11126805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).