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

C9H20O2Si — CID 20697417

IUPAC2-(2-trimethylsilylethoxy)but-3-en-1-ol
SMILESC=CC(CO)OCC[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-5-9(8-10)11-6-7-12(2,3)4/h5,9-10H,1,6-8H2,2-4H3
InChIKeyBIDZQBKOHHBOBS-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.89
Rot. Bonds6

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

2-(2-trimethylsilylethoxy)but-3-en-1-ol (PubChem CID 20697417) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-(2-trimethylsilylethoxy)but-3-en-1-ol.

Molecular Properties

Compound Name2-(2-trimethylsilylethoxy)but-3-en-1-ol
PubChem CID20697417
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name2-(2-trimethylsilylethoxy)but-3-en-1-ol
SMILESC=CC(CO)OCC[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-5-9(8-10)11-6-7-12(2,3)4/h5,9-10H,1,6-8H2,2-4H3
InChIKeyBIDZQBKOHHBOBS-UHFFFAOYSA-N
XLogP1.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.89
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-(2-trimethylsilylethoxy)but-3-en-1-ol?
The IUPAC name of 2-(2-trimethylsilylethoxy)but-3-en-1-ol (CID 20697417) is 2-(2-trimethylsilylethoxy)but-3-en-1-ol.
What is the SMILES notation for 2-(2-trimethylsilylethoxy)but-3-en-1-ol?
The canonical SMILES for 2-(2-trimethylsilylethoxy)but-3-en-1-ol is C=CC(CO)OCC[Si](C)(C)C.
What is the InChIKey of 2-(2-trimethylsilylethoxy)but-3-en-1-ol?
The InChIKey is BIDZQBKOHHBOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-5-9(8-10)11-6-7-12(2,3)4/h5,9-10H,1,6-8H2,2-4H3.
What are the key properties of 2-(2-trimethylsilylethoxy)but-3-en-1-ol?
2-(2-trimethylsilylethoxy)but-3-en-1-ol has a molecular weight of 188.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-trimethylsilylethoxy)but-3-en-1-ol is sourced from PubChem (CID 20697417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).