2-methyl-2-(2-trimethylsilylethoxy)but-3-en-1-ol

C10H22O2Si — CID 20697431

IUPAC2-methyl-2-(2-trimethylsilylethoxy)but-3-en-1-ol
SMILESC=CC(C)(CO)OCC[Si](C)(C)C
InChIInChI=1S/C10H22O2Si/c1-6-10(2,9-11)12-7-8-13(3,4)5/h6,11H,1,7-9H2,2-5H3
InChIKeyXYHDBGUIQJKICU-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.28
Rot. Bonds6

About 2-methyl-2-(2-trimethylsilylethoxy)but-3-en-1-ol

2-methyl-2-(2-trimethylsilylethoxy)but-3-en-1-ol (PubChem CID 20697431) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-methyl-2-(2-trimethylsilylethoxy)but-3-en-1-ol.

Molecular Properties

Compound Name2-methyl-2-(2-trimethylsilylethoxy)but-3-en-1-ol
PubChem CID20697431
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Name2-methyl-2-(2-trimethylsilylethoxy)but-3-en-1-ol
SMILESC=CC(C)(CO)OCC[Si](C)(C)C
InChIInChI=1S/C10H22O2Si/c1-6-10(2,9-11)12-7-8-13(3,4)5/h6,11H,1,7-9H2,2-5H3
InChIKeyXYHDBGUIQJKICU-UHFFFAOYSA-N
XLogP2.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-trimethylsilylethoxy)but-3-en-1-ol?
The IUPAC name of 2-methyl-2-(2-trimethylsilylethoxy)but-3-en-1-ol (CID 20697431) is 2-methyl-2-(2-trimethylsilylethoxy)but-3-en-1-ol.
What is the SMILES notation for 2-methyl-2-(2-trimethylsilylethoxy)but-3-en-1-ol?
The canonical SMILES for 2-methyl-2-(2-trimethylsilylethoxy)but-3-en-1-ol is C=CC(C)(CO)OCC[Si](C)(C)C.
What is the InChIKey of 2-methyl-2-(2-trimethylsilylethoxy)but-3-en-1-ol?
The InChIKey is XYHDBGUIQJKICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-6-10(2,9-11)12-7-8-13(3,4)5/h6,11H,1,7-9H2,2-5H3.
What are the key properties of 2-methyl-2-(2-trimethylsilylethoxy)but-3-en-1-ol?
2-methyl-2-(2-trimethylsilylethoxy)but-3-en-1-ol has a molecular weight of 202.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-trimethylsilylethoxy)but-3-en-1-ol is sourced from PubChem (CID 20697431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).