undeca-5,10-diyn-1-ol

C11H16O — CID 3442451

IUPACundeca-5,10-diyn-1-ol
SMILESC#CCCCC#CCCCCO
InChIInChI=1S/C11H16O/c1-2-3-4-5-6-7-8-9-10-11-12/h1,12H,3-5,8-11H2
InChIKeyFVBVKMSAQKHKQB-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.96
Rot. Bonds5

About undeca-5,10-diyn-1-ol

undeca-5,10-diyn-1-ol (PubChem CID 3442451) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is undeca-5,10-diyn-1-ol.

Molecular Properties

Compound Nameundeca-5,10-diyn-1-ol
PubChem CID3442451
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Nameundeca-5,10-diyn-1-ol
SMILESC#CCCCC#CCCCCO
InChIInChI=1S/C11H16O/c1-2-3-4-5-6-7-8-9-10-11-12/h1,12H,3-5,8-11H2
InChIKeyFVBVKMSAQKHKQB-UHFFFAOYSA-N
XLogP1.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.96
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-15-yn-1-ol
CID 10922615
butane-1,4-diol;hexa-1,5-diyne
CID 138705678
4-(hex-5-ynylamino)butan-1-ol
CID 106211716
lithium;hydride;pent-4-yn-1-ol
CID 173248193
pentadeca-5,10-diyn-1-ol
CID 560933
acetic acid;hept-6-yn-1-ol
CID 71329694
non-2-yne-1,9-diol
CID 10997284
nonadeca-6,9,12-triyne-1,19-diol
CID 171715193
undec-7-yn-1-ol
CID 10909966
undec-5-yn-1-ol
CID 13113234
dodec-2-yn-1-ol;undec-1-yne
CID 159187023
trideca-1,12-diyne
CID 13119526

Frequently Asked Questions

What is the IUPAC name of undeca-5,10-diyn-1-ol?
The IUPAC name of undeca-5,10-diyn-1-ol (CID 3442451) is undeca-5,10-diyn-1-ol.
What is the SMILES notation for undeca-5,10-diyn-1-ol?
The canonical SMILES for undeca-5,10-diyn-1-ol is C#CCCCC#CCCCCO.
What is the InChIKey of undeca-5,10-diyn-1-ol?
The InChIKey is FVBVKMSAQKHKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-2-3-4-5-6-7-8-9-10-11-12/h1,12H,3-5,8-11H2.
What are the key properties of undeca-5,10-diyn-1-ol?
undeca-5,10-diyn-1-ol has a molecular weight of 164.25 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undeca-5,10-diyn-1-ol is sourced from PubChem (CID 3442451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).