undeca-3,5-diyn-1-ol

C11H16O — CID 15306342

IUPACundeca-3,5-diyn-1-ol
SMILESCCCCCC#CC#CCCO
InChIInChI=1S/C11H16O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-5,10-11H2,1H3
InChIKeyWGYSOGZBMBCJKP-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.96
Rot. Bonds4

About undeca-3,5-diyn-1-ol

undeca-3,5-diyn-1-ol (PubChem CID 15306342) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is undeca-3,5-diyn-1-ol.

Molecular Properties

Compound Nameundeca-3,5-diyn-1-ol
PubChem CID15306342
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Nameundeca-3,5-diyn-1-ol
SMILESCCCCCC#CC#CCCO
InChIInChI=1S/C11H16O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-5,10-11H2,1H3
InChIKeyWGYSOGZBMBCJKP-UHFFFAOYSA-N
XLogP1.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of undeca-3,5-diyn-1-ol?
The IUPAC name of undeca-3,5-diyn-1-ol (CID 15306342) is undeca-3,5-diyn-1-ol.
What is the SMILES notation for undeca-3,5-diyn-1-ol?
The canonical SMILES for undeca-3,5-diyn-1-ol is CCCCCC#CC#CCCO.
What is the InChIKey of undeca-3,5-diyn-1-ol?
The InChIKey is WGYSOGZBMBCJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-5,10-11H2,1H3.
What are the key properties of undeca-3,5-diyn-1-ol?
undeca-3,5-diyn-1-ol has a molecular weight of 164.25 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undeca-3,5-diyn-1-ol is sourced from PubChem (CID 15306342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).