4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol

C10H20O2Si — CID 5461845

IUPAC4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC#CCO
InChIInChI=1S/C10H20O2Si/c1-10(2,3)13(4,5)12-9-7-6-8-11/h11H,8-9H2,1-5H3
InChIKeyTVWVWXDQNWGYJZ-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.00
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol

4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol (PubChem CID 5461845) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol
PubChem CID5461845
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC#CCO
InChIInChI=1S/C10H20O2Si/c1-10(2,3)13(4,5)12-9-7-6-8-11/h11H,8-9H2,1-5H3
InChIKeyTVWVWXDQNWGYJZ-UHFFFAOYSA-N
XLogP2.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.00
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-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol (CID 5461845) is 4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol is CC(C)(C)[Si](C)(C)OCC#CCO.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol?
The InChIKey is TVWVWXDQNWGYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-10(2,3)13(4,5)12-9-7-6-8-11/h11H,8-9H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol?
4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol has a molecular weight of 200.35 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol is sourced from PubChem (CID 5461845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).