4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane

C19H40O2Si3 — CID 20565068

IUPAC4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane
SMILESC#CCC(O)(C#C[Si](C)(C)C)CCCC.C[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C13H22OSi.C6H18OSi2/c1-6-8-10-13(14,9-7-2)11-12-15(3,4)5;1-8(2,3)7-9(4,5)6/h2,14H,6,8-10H2,1,3-5H3;1-6H3
InChIKeyOJTMTKSJLQVHQF-UHFFFAOYSA-N
MW384.79 g/mol
LogP5.48
Rot. Bonds6

About 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane

4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane (PubChem CID 20565068) has the molecular formula C19H40O2Si3 and a molecular weight of 384.79 g/mol. Its IUPAC name is 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane.

Molecular Properties

Compound Name4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane
PubChem CID20565068
Molecular FormulaC19H40O2Si3
Molecular Weight384.79 g/mol
Exact Mass384.23
IUPAC Name4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane
SMILESC#CCC(O)(C#C[Si](C)(C)C)CCCC.C[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C13H22OSi.C6H18OSi2/c1-6-8-10-13(14,9-7-2)11-12-15(3,4)5;1-8(2,3)7-9(4,5)6/h2,14H,6,8-10H2,1,3-5H3;1-6H3
InChIKeyOJTMTKSJLQVHQF-UHFFFAOYSA-N
XLogP5.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.79
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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;trimethyl(trimethylsilyloxy)silane?
The IUPAC name of 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane (CID 20565068) is 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane.
What is the SMILES notation for 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane?
The canonical SMILES for 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane is C#CCC(O)(C#C[Si](C)(C)C)CCCC.C[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane?
The InChIKey is OJTMTKSJLQVHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSi.C6H18OSi2/c1-6-8-10-13(14,9-7-2)11-12-15(3,4)5;1-8(2,3)7-9(4,5)6/h2,14H,6,8-10H2,1,3-5H3;1-6H3.
What are the key properties of 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane?
4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane has a molecular weight of 384.79 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane is sourced from PubChem (CID 20565068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).