dodec-2-yn-1-ol;undec-1-yne

C23H42O — CID 159187023

IUPACdodec-2-yn-1-ol;undec-1-yne
SMILESC#CCCCCCCCCC.CCCCCCCCCC#CCO
InChIInChI=1S/C12H22O.C11H20/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-3-5-7-9-11-10-8-6-4-2/h13H,2-9,12H2,1H3;1H,4-11H2,2H3
InChIKeyKNPQSDWAGXHFGS-UHFFFAOYSA-N
MW334.59 g/mol
LogP6.88
Rot. Bonds14

About dodec-2-yn-1-ol;undec-1-yne

dodec-2-yn-1-ol;undec-1-yne (PubChem CID 159187023) has the molecular formula C23H42O and a molecular weight of 334.59 g/mol. Its IUPAC name is dodec-2-yn-1-ol;undec-1-yne.

Molecular Properties

Compound Namedodec-2-yn-1-ol;undec-1-yne
PubChem CID159187023
Molecular FormulaC23H42O
Molecular Weight334.59 g/mol
Exact Mass334.32
IUPAC Namedodec-2-yn-1-ol;undec-1-yne
SMILESC#CCCCCCCCCC.CCCCCCCCCC#CCO
InChIInChI=1S/C12H22O.C11H20/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-3-5-7-9-11-10-8-6-4-2/h13H,2-9,12H2,1H3;1H,4-11H2,2H3
InChIKeyKNPQSDWAGXHFGS-UHFFFAOYSA-N
XLogP6.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

hexadec-2-yn-1-ol
CID 11010038
octadec-2-yn-1-ol
CID 2825194
oct-1-yne
CID 19597608
hept-1-yne;nonadeca-6,8-diyne
CID 91221383
CID 172706336
CID 172706336
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
henicos-8-yne
CID 22224321
dodeca-2,4-diyn-1-ol
CID 11816199
tetradec-5-yn-1-ol
CID 15730841
heptadec-8-yn-1-ol
CID 10491053
11-hexoxyundec-1-yne
CID 89349998

Frequently Asked Questions

What is the IUPAC name of dodec-2-yn-1-ol;undec-1-yne?
The IUPAC name of dodec-2-yn-1-ol;undec-1-yne (CID 159187023) is dodec-2-yn-1-ol;undec-1-yne.
What is the SMILES notation for dodec-2-yn-1-ol;undec-1-yne?
The canonical SMILES for dodec-2-yn-1-ol;undec-1-yne is C#CCCCCCCCCC.CCCCCCCCCC#CCO.
What is the InChIKey of dodec-2-yn-1-ol;undec-1-yne?
The InChIKey is KNPQSDWAGXHFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O.C11H20/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-3-5-7-9-11-10-8-6-4-2/h13H,2-9,12H2,1H3;1H,4-11H2,2H3.
What are the key properties of dodec-2-yn-1-ol;undec-1-yne?
dodec-2-yn-1-ol;undec-1-yne has a molecular weight of 334.59 g/mol, XLogP of 6.88, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-2-yn-1-ol;undec-1-yne is sourced from PubChem (CID 159187023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).