3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropanal

C11H24O2Si — CID 10656375

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropanal
SMILESCC(C)(C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-10(2,3)14(6,7)13-9-11(4,5)8-12/h8H,9H2,1-7H3
InChIKeyPLPBSUJOMPJZJF-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.23
Rot. Bonds4

About 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropanal

3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropanal (PubChem CID 10656375) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropanal
PubChem CID10656375
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropanal
SMILESCC(C)(C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-10(2,3)14(6,7)13-9-11(4,5)8-12/h8H,9H2,1-7H3
InChIKeyPLPBSUJOMPJZJF-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.23
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 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropanal 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]oxy-2,2-dimethylpropanal?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropanal (CID 10656375) is 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropanal.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropanal?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropanal is CC(C)(C=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropanal?
The InChIKey is PLPBSUJOMPJZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-10(2,3)14(6,7)13-9-11(4,5)8-12/h8H,9H2,1-7H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropanal?
3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropanal has a molecular weight of 216.40 g/mol, XLogP of 3.23, 4 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]oxy-2,2-dimethylpropanal is sourced from PubChem (CID 10656375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).