2-methyldodeca-3,5-diyn-2-ol

C13H20O — CID 11264003

IUPAC2-methyldodeca-3,5-diyn-2-ol
SMILESCCCCCCC#CC#CC(C)(C)O
InChIInChI=1S/C13H20O/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h14H,4-8H2,1-3H3
InChIKeyXNESBERANBEPTO-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.73
Rot. Bonds4

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

2-methyldodeca-3,5-diyn-2-ol (PubChem CID 11264003) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-methyldodeca-3,5-diyn-2-ol.

Molecular Properties

Compound Name2-methyldodeca-3,5-diyn-2-ol
PubChem CID11264003
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-methyldodeca-3,5-diyn-2-ol
SMILESCCCCCCC#CC#CC(C)(C)O
InChIInChI=1S/C13H20O/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h14H,4-8H2,1-3H3
InChIKeyXNESBERANBEPTO-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.73
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-methyldodeca-3,5-diyn-2-ol?
The IUPAC name of 2-methyldodeca-3,5-diyn-2-ol (CID 11264003) is 2-methyldodeca-3,5-diyn-2-ol.
What is the SMILES notation for 2-methyldodeca-3,5-diyn-2-ol?
The canonical SMILES for 2-methyldodeca-3,5-diyn-2-ol is CCCCCCC#CC#CC(C)(C)O.
What is the InChIKey of 2-methyldodeca-3,5-diyn-2-ol?
The InChIKey is XNESBERANBEPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h14H,4-8H2,1-3H3.
What are the key properties of 2-methyldodeca-3,5-diyn-2-ol?
2-methyldodeca-3,5-diyn-2-ol has a molecular weight of 192.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldodeca-3,5-diyn-2-ol is sourced from PubChem (CID 11264003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).