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

C13H22OSi — CID 12786193

IUPAC4-(2-trimethylsilylethynyl)oct-1-yn-4-ol
SMILESC#CCC(O)(C#C[Si](C)(C)C)CCCC
InChIInChI=1S/C13H22OSi/c1-6-8-10-13(14,9-7-2)11-12-15(3,4)5/h2,14H,6,8-10H2,1,3-5H3
InChIKeyTUOOAZQSBFKNKM-UHFFFAOYSA-N
MW222.40 g/mol
LogP2.81
Rot. Bonds4

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

4-(2-trimethylsilylethynyl)oct-1-yn-4-ol (PubChem CID 12786193) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol.

Molecular Properties

Compound Name4-(2-trimethylsilylethynyl)oct-1-yn-4-ol
PubChem CID12786193
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name4-(2-trimethylsilylethynyl)oct-1-yn-4-ol
SMILESC#CCC(O)(C#C[Si](C)(C)C)CCCC
InChIInChI=1S/C13H22OSi/c1-6-8-10-13(14,9-7-2)11-12-15(3,4)5/h2,14H,6,8-10H2,1,3-5H3
InChIKeyTUOOAZQSBFKNKM-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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)oct-1-yn-4-ol?
The IUPAC name of 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol (CID 12786193) is 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol.
What is the SMILES notation for 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol?
The canonical SMILES for 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol is C#CCC(O)(C#C[Si](C)(C)C)CCCC.
What is the InChIKey of 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol?
The InChIKey is TUOOAZQSBFKNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSi/c1-6-8-10-13(14,9-7-2)11-12-15(3,4)5/h2,14H,6,8-10H2,1,3-5H3.
What are the key properties of 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol?
4-(2-trimethylsilylethynyl)oct-1-yn-4-ol has a molecular weight of 222.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol is sourced from PubChem (CID 12786193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).