3-[[tert-butyl(dimethyl)silyl]oxymethyl]but-3-enal

C11H22O2Si — CID 25111193

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]but-3-enal
SMILESC=C(CC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-10(7-8-12)9-13-14(5,6)11(2,3)4/h8H,1,7,9H2,2-6H3
InChIKeyCDQIVEKSAJREPS-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.15
Rot. Bonds5

About 3-[[tert-butyl(dimethyl)silyl]oxymethyl]but-3-enal

3-[[tert-butyl(dimethyl)silyl]oxymethyl]but-3-enal (PubChem CID 25111193) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]but-3-enal.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]but-3-enal
PubChem CID25111193
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]but-3-enal
SMILESC=C(CC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-10(7-8-12)9-13-14(5,6)11(2,3)4/h8H,1,7,9H2,2-6H3
InChIKeyCDQIVEKSAJREPS-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[[tert-butyl(dimethyl)silyl]oxymethyl]but-3-enal 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 3-[[tert-butyl(dimethyl)silyl]oxymethyl]but-3-enal?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]but-3-enal (CID 25111193) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]but-3-enal.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]but-3-enal?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]but-3-enal is C=C(CC=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]but-3-enal?
The InChIKey is CDQIVEKSAJREPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-10(7-8-12)9-13-14(5,6)11(2,3)4/h8H,1,7,9H2,2-6H3.
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]but-3-enal?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]but-3-enal has a molecular weight of 214.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]but-3-enal is sourced from PubChem (CID 25111193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).