3-triethylsilylbut-1-yn-1-ol

C10H20OSi — CID 19358394

IUPAC3-triethylsilylbut-1-yn-1-ol
SMILESCC[Si](CC)(CC)C(C)C#CO
InChIInChI=1S/C10H20OSi/c1-5-12(6-2,7-3)10(4)8-9-11/h10-11H,5-7H2,1-4H3
InChIKeyVYBBRBOMIMSWKH-UHFFFAOYSA-N
MW184.35 g/mol
LogP3.22
Rot. Bonds4

About 3-triethylsilylbut-1-yn-1-ol

3-triethylsilylbut-1-yn-1-ol (PubChem CID 19358394) has the molecular formula C10H20OSi and a molecular weight of 184.35 g/mol. Its IUPAC name is 3-triethylsilylbut-1-yn-1-ol.

Molecular Properties

Compound Name3-triethylsilylbut-1-yn-1-ol
PubChem CID19358394
Molecular FormulaC10H20OSi
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name3-triethylsilylbut-1-yn-1-ol
SMILESCC[Si](CC)(CC)C(C)C#CO
InChIInChI=1S/C10H20OSi/c1-5-12(6-2,7-3)10(4)8-9-11/h10-11H,5-7H2,1-4H3
InChIKeyVYBBRBOMIMSWKH-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.22
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 3-triethylsilylbut-1-yn-1-ol?
The IUPAC name of 3-triethylsilylbut-1-yn-1-ol (CID 19358394) is 3-triethylsilylbut-1-yn-1-ol.
What is the SMILES notation for 3-triethylsilylbut-1-yn-1-ol?
The canonical SMILES for 3-triethylsilylbut-1-yn-1-ol is CC[Si](CC)(CC)C(C)C#CO.
What is the InChIKey of 3-triethylsilylbut-1-yn-1-ol?
The InChIKey is VYBBRBOMIMSWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OSi/c1-5-12(6-2,7-3)10(4)8-9-11/h10-11H,5-7H2,1-4H3.
What are the key properties of 3-triethylsilylbut-1-yn-1-ol?
3-triethylsilylbut-1-yn-1-ol has a molecular weight of 184.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethylsilylbut-1-yn-1-ol is sourced from PubChem (CID 19358394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).