4-trimethylsilylbut-3-yne-1,2-diol

C7H14O2Si — CID 122372283

IUPAC4-trimethylsilylbut-3-yne-1,2-diol
SMILESC[Si](C)(C)C#CC(O)CO
InChIInChI=1S/C7H14O2Si/c1-10(2,3)5-4-7(9)6-8/h7-9H,6H2,1-3H3
InChIKeyGLERBOOWWPFAGQ-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.22
Rot. Bonds1

About 4-trimethylsilylbut-3-yne-1,2-diol

4-trimethylsilylbut-3-yne-1,2-diol (PubChem CID 122372283) has the molecular formula C7H14O2Si and a molecular weight of 158.27 g/mol. Its IUPAC name is 4-trimethylsilylbut-3-yne-1,2-diol.

Molecular Properties

Compound Name4-trimethylsilylbut-3-yne-1,2-diol
PubChem CID122372283
Molecular FormulaC7H14O2Si
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name4-trimethylsilylbut-3-yne-1,2-diol
SMILESC[Si](C)(C)C#CC(O)CO
InChIInChI=1S/C7H14O2Si/c1-10(2,3)5-4-7(9)6-8/h7-9H,6H2,1-3H3
InChIKeyGLERBOOWWPFAGQ-UHFFFAOYSA-N
XLogP0.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.22
H-Bond Donors ≤ 52
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-trimethylsilylbut-3-yne-1,2-diol?
The IUPAC name of 4-trimethylsilylbut-3-yne-1,2-diol (CID 122372283) is 4-trimethylsilylbut-3-yne-1,2-diol.
What is the SMILES notation for 4-trimethylsilylbut-3-yne-1,2-diol?
The canonical SMILES for 4-trimethylsilylbut-3-yne-1,2-diol is C[Si](C)(C)C#CC(O)CO.
What is the InChIKey of 4-trimethylsilylbut-3-yne-1,2-diol?
The InChIKey is GLERBOOWWPFAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2Si/c1-10(2,3)5-4-7(9)6-8/h7-9H,6H2,1-3H3.
What are the key properties of 4-trimethylsilylbut-3-yne-1,2-diol?
4-trimethylsilylbut-3-yne-1,2-diol has a molecular weight of 158.27 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilylbut-3-yne-1,2-diol is sourced from PubChem (CID 122372283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).