4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanal

C12H26O2Si — CID 10489671

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanal
SMILESCC(C)(CC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-11(2,3)15(6,7)14-10-12(4,5)8-9-13/h9H,8,10H2,1-7H3
InChIKeyYJOABQGAGJGYRO-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.62
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanal

4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanal (PubChem CID 10489671) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanal.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanal
PubChem CID10489671
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanal
SMILESCC(C)(CC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-11(2,3)15(6,7)14-10-12(4,5)8-9-13/h9H,8,10H2,1-7H3
InChIKeyYJOABQGAGJGYRO-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.62
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'}

Analyze 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanal 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]oxy-3,3-dimethylbutanal?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanal (CID 10489671) is 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanal.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanal?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanal is CC(C)(CC=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanal?
The InChIKey is YJOABQGAGJGYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-11(2,3)15(6,7)14-10-12(4,5)8-9-13/h9H,8,10H2,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanal?
4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanal has a molecular weight of 230.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanal is sourced from PubChem (CID 10489671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).