4-[tert-butyl(dimethyl)silyl]but-3-yn-2-ol

C10H20OSi — CID 10821369

IUPAC4-[tert-butyl(dimethyl)silyl]but-3-yn-2-ol
SMILESCC(O)C#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20OSi/c1-9(11)7-8-12(5,6)10(2,3)4/h9,11H,1-6H3
InChIKeyIIGAHQPHEGBTBF-UHFFFAOYSA-N
MW184.35 g/mol
LogP2.42
Rot. Bonds

About 4-[tert-butyl(dimethyl)silyl]but-3-yn-2-ol

4-[tert-butyl(dimethyl)silyl]but-3-yn-2-ol (PubChem CID 10821369) has the molecular formula C10H20OSi and a molecular weight of 184.35 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]but-3-yn-2-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]but-3-yn-2-ol
PubChem CID10821369
Molecular FormulaC10H20OSi
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name4-[tert-butyl(dimethyl)silyl]but-3-yn-2-ol
SMILESCC(O)C#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20OSi/c1-9(11)7-8-12(5,6)10(2,3)4/h9,11H,1-6H3
InChIKeyIIGAHQPHEGBTBF-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 52.42
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'}

Analyze 4-[tert-butyl(dimethyl)silyl]but-3-yn-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]but-3-yn-2-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]but-3-yn-2-ol (CID 10821369) is 4-[tert-butyl(dimethyl)silyl]but-3-yn-2-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]but-3-yn-2-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]but-3-yn-2-ol is CC(O)C#C[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]but-3-yn-2-ol?
The InChIKey is IIGAHQPHEGBTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OSi/c1-9(11)7-8-12(5,6)10(2,3)4/h9,11H,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]but-3-yn-2-ol?
4-[tert-butyl(dimethyl)silyl]but-3-yn-2-ol has a molecular weight of 184.35 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]but-3-yn-2-ol is sourced from PubChem (CID 10821369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).