2,2-dimethyl-3-trimethylsilylpropanal

C8H18OSi — CID 91512077

IUPAC2,2-dimethyl-3-trimethylsilylpropanal
SMILESCC(C)(C=O)C[Si](C)(C)C
InChIInChI=1S/C8H18OSi/c1-8(2,6-9)7-10(3,4)5/h6H,7H2,1-5H3
InChIKeyDKPJVCSVJKLUAR-UHFFFAOYSA-N
MW158.32 g/mol
LogP2.55
Rot. Bonds3

About 2,2-dimethyl-3-trimethylsilylpropanal

2,2-dimethyl-3-trimethylsilylpropanal (PubChem CID 91512077) has the molecular formula C8H18OSi and a molecular weight of 158.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-trimethylsilylpropanal.

Molecular Properties

Compound Name2,2-dimethyl-3-trimethylsilylpropanal
PubChem CID91512077
Molecular FormulaC8H18OSi
Molecular Weight158.32 g/mol
Exact Mass158.11
IUPAC Name2,2-dimethyl-3-trimethylsilylpropanal
SMILESCC(C)(C=O)C[Si](C)(C)C
InChIInChI=1S/C8H18OSi/c1-8(2,6-9)7-10(3,4)5/h6H,7H2,1-5H3
InChIKeyDKPJVCSVJKLUAR-UHFFFAOYSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-3-trimethylsilylpropanal 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 2,2-dimethyl-3-trimethylsilylpropanal?
The IUPAC name of 2,2-dimethyl-3-trimethylsilylpropanal (CID 91512077) is 2,2-dimethyl-3-trimethylsilylpropanal.
What is the SMILES notation for 2,2-dimethyl-3-trimethylsilylpropanal?
The canonical SMILES for 2,2-dimethyl-3-trimethylsilylpropanal is CC(C)(C=O)C[Si](C)(C)C.
What is the InChIKey of 2,2-dimethyl-3-trimethylsilylpropanal?
The InChIKey is DKPJVCSVJKLUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OSi/c1-8(2,6-9)7-10(3,4)5/h6H,7H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-trimethylsilylpropanal?
2,2-dimethyl-3-trimethylsilylpropanal has a molecular weight of 158.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-trimethylsilylpropanal is sourced from PubChem (CID 91512077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).