undeca-4,7-diyn-6-ol

C11H16O — CID 15932781

IUPACundeca-4,7-diyn-6-ol
SMILESCCCC#CC(O)C#CCCC
InChIInChI=1S/C11H16O/c1-3-5-7-9-11(12)10-8-6-4-2/h11-12H,3-6H2,1-2H3
InChIKeyANQPLDHZQVCDOY-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.95
Rot. Bonds2

About undeca-4,7-diyn-6-ol

undeca-4,7-diyn-6-ol (PubChem CID 15932781) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is undeca-4,7-diyn-6-ol.

Molecular Properties

Compound Nameundeca-4,7-diyn-6-ol
PubChem CID15932781
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Nameundeca-4,7-diyn-6-ol
SMILESCCCC#CC(O)C#CCCC
InChIInChI=1S/C11H16O/c1-3-5-7-9-11(12)10-8-6-4-2/h11-12H,3-6H2,1-2H3
InChIKeyANQPLDHZQVCDOY-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-4,7-diyn-6-ol?
The IUPAC name of undeca-4,7-diyn-6-ol (CID 15932781) is undeca-4,7-diyn-6-ol.
What is the SMILES notation for undeca-4,7-diyn-6-ol?
The canonical SMILES for undeca-4,7-diyn-6-ol is CCCC#CC(O)C#CCCC.
What is the InChIKey of undeca-4,7-diyn-6-ol?
The InChIKey is ANQPLDHZQVCDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-3-5-7-9-11(12)10-8-6-4-2/h11-12H,3-6H2,1-2H3.
What are the key properties of undeca-4,7-diyn-6-ol?
undeca-4,7-diyn-6-ol has a molecular weight of 164.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undeca-4,7-diyn-6-ol is sourced from PubChem (CID 15932781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).