4-(2-trimethylsilylethynyl)dec-1-yn-4-ol

C15H26OSi — CID 54247316

IUPAC4-(2-trimethylsilylethynyl)dec-1-yn-4-ol
SMILESC#CCC(O)(C#C[Si](C)(C)C)CCCCCC
InChIInChI=1S/C15H26OSi/c1-6-8-9-10-12-15(16,11-7-2)13-14-17(3,4)5/h2,16H,6,8-12H2,1,3-5H3
InChIKeyQUEJFTPOVJATOQ-UHFFFAOYSA-N
MW250.46 g/mol
LogP3.59
Rot. Bonds6

About 4-(2-trimethylsilylethynyl)dec-1-yn-4-ol

4-(2-trimethylsilylethynyl)dec-1-yn-4-ol (PubChem CID 54247316) has the molecular formula C15H26OSi and a molecular weight of 250.46 g/mol. Its IUPAC name is 4-(2-trimethylsilylethynyl)dec-1-yn-4-ol.

Molecular Properties

Compound Name4-(2-trimethylsilylethynyl)dec-1-yn-4-ol
PubChem CID54247316
Molecular FormulaC15H26OSi
Molecular Weight250.46 g/mol
Exact Mass250.18
IUPAC Name4-(2-trimethylsilylethynyl)dec-1-yn-4-ol
SMILESC#CCC(O)(C#C[Si](C)(C)C)CCCCCC
InChIInChI=1S/C15H26OSi/c1-6-8-9-10-12-15(16,11-7-2)13-14-17(3,4)5/h2,16H,6,8-12H2,1,3-5H3
InChIKeyQUEJFTPOVJATOQ-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-trimethylsilylethynyl)dec-1-yn-4-ol?
The IUPAC name of 4-(2-trimethylsilylethynyl)dec-1-yn-4-ol (CID 54247316) is 4-(2-trimethylsilylethynyl)dec-1-yn-4-ol.
What is the SMILES notation for 4-(2-trimethylsilylethynyl)dec-1-yn-4-ol?
The canonical SMILES for 4-(2-trimethylsilylethynyl)dec-1-yn-4-ol is C#CCC(O)(C#C[Si](C)(C)C)CCCCCC.
What is the InChIKey of 4-(2-trimethylsilylethynyl)dec-1-yn-4-ol?
The InChIKey is QUEJFTPOVJATOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OSi/c1-6-8-9-10-12-15(16,11-7-2)13-14-17(3,4)5/h2,16H,6,8-12H2,1,3-5H3.
What are the key properties of 4-(2-trimethylsilylethynyl)dec-1-yn-4-ol?
4-(2-trimethylsilylethynyl)dec-1-yn-4-ol has a molecular weight of 250.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-trimethylsilylethynyl)dec-1-yn-4-ol is sourced from PubChem (CID 54247316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).