2-methyldeca-3,5-diyn-2-ol

C11H16O — CID 10535024

IUPAC2-methyldeca-3,5-diyn-2-ol
SMILESCCCCC#CC#CC(C)(C)O
InChIInChI=1S/C11H16O/c1-4-5-6-7-8-9-10-11(2,3)12/h12H,4-6H2,1-3H3
InChIKeyKXQKRIJUYHCFMC-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.95
Rot. Bonds2

About 2-methyldeca-3,5-diyn-2-ol

2-methyldeca-3,5-diyn-2-ol (PubChem CID 10535024) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-methyldeca-3,5-diyn-2-ol.

Molecular Properties

Compound Name2-methyldeca-3,5-diyn-2-ol
PubChem CID10535024
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-methyldeca-3,5-diyn-2-ol
SMILESCCCCC#CC#CC(C)(C)O
InChIInChI=1S/C11H16O/c1-4-5-6-7-8-9-10-11(2,3)12/h12H,4-6H2,1-3H3
InChIKeyKXQKRIJUYHCFMC-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyldeca-3,5-diyn-2-ol?
The IUPAC name of 2-methyldeca-3,5-diyn-2-ol (CID 10535024) is 2-methyldeca-3,5-diyn-2-ol.
What is the SMILES notation for 2-methyldeca-3,5-diyn-2-ol?
The canonical SMILES for 2-methyldeca-3,5-diyn-2-ol is CCCCC#CC#CC(C)(C)O.
What is the InChIKey of 2-methyldeca-3,5-diyn-2-ol?
The InChIKey is KXQKRIJUYHCFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-4-5-6-7-8-9-10-11(2,3)12/h12H,4-6H2,1-3H3.
What are the key properties of 2-methyldeca-3,5-diyn-2-ol?
2-methyldeca-3,5-diyn-2-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 2-methyldeca-3,5-diyn-2-ol is sourced from PubChem (CID 10535024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).