dodec-11-yn-2-ol

C12H22O — CID 14044485

IUPACdodec-11-yn-2-ol
SMILESC#CCCCCCCCCC(C)O
InChIInChI=1S/C12H22O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h1,12-13H,4-11H2,2H3
InChIKeyRGLIVQKZMBCDSZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.12
Rot. Bonds8

About dodec-11-yn-2-ol

dodec-11-yn-2-ol (PubChem CID 14044485) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is dodec-11-yn-2-ol.

Molecular Properties

Compound Namedodec-11-yn-2-ol
PubChem CID14044485
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Namedodec-11-yn-2-ol
SMILESC#CCCCCCCCCC(C)O
InChIInChI=1S/C12H22O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h1,12-13H,4-11H2,2H3
InChIKeyRGLIVQKZMBCDSZ-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.12
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

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CID 11275050
12-methyltridec-1-yne
CID 10921423
4-(hex-5-ynylamino)butan-2-ol
CID 106211383
1-iodoundec-10-yn-1-ol
CID 87638257
N-methylnon-8-yn-2-amine
CID 91435283
trideca-1,12-diyne
CID 13119526
heptatriaconta-1,36-diyne
CID 58527209
19,19-dichlorononadec-1-yne
CID 88635184
docosan-2-ol
CID 14151025
henicosan-2-ol
CID 14151023
henicosane-1,20-diol
CID 86247204
hexadecane-1,15-diol
CID 53400630

Frequently Asked Questions

What is the IUPAC name of dodec-11-yn-2-ol?
The IUPAC name of dodec-11-yn-2-ol (CID 14044485) is dodec-11-yn-2-ol.
What is the SMILES notation for dodec-11-yn-2-ol?
The canonical SMILES for dodec-11-yn-2-ol is C#CCCCCCCCCC(C)O.
What is the InChIKey of dodec-11-yn-2-ol?
The InChIKey is RGLIVQKZMBCDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h1,12-13H,4-11H2,2H3.
What are the key properties of dodec-11-yn-2-ol?
dodec-11-yn-2-ol has a molecular weight of 182.31 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-11-yn-2-ol is sourced from PubChem (CID 14044485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).