4-trimethylsilyloxybutanal

C7H16O2Si — CID 12669706

IUPAC4-trimethylsilyloxybutanal
SMILESC[Si](C)(C)OCCCC=O
InChIInChI=1S/C7H16O2Si/c1-10(2,3)9-7-5-4-6-8/h6H,4-5,7H2,1-3H3
InChIKeyLHTHVTVTLKMDSK-UHFFFAOYSA-N
MW160.29 g/mol
LogP1.82
Rot. Bonds5

About 4-trimethylsilyloxybutanal

4-trimethylsilyloxybutanal (PubChem CID 12669706) has the molecular formula C7H16O2Si and a molecular weight of 160.29 g/mol. Its IUPAC name is 4-trimethylsilyloxybutanal.

Molecular Properties

Compound Name4-trimethylsilyloxybutanal
PubChem CID12669706
Molecular FormulaC7H16O2Si
Molecular Weight160.29 g/mol
Exact Mass160.09
IUPAC Name4-trimethylsilyloxybutanal
SMILESC[Si](C)(C)OCCCC=O
InChIInChI=1S/C7H16O2Si/c1-10(2,3)9-7-5-4-6-8/h6H,4-5,7H2,1-3H3
InChIKeyLHTHVTVTLKMDSK-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-trimethylsilyloxybutanal 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-trimethylsilyloxybutanal?
The IUPAC name of 4-trimethylsilyloxybutanal (CID 12669706) is 4-trimethylsilyloxybutanal.
What is the SMILES notation for 4-trimethylsilyloxybutanal?
The canonical SMILES for 4-trimethylsilyloxybutanal is C[Si](C)(C)OCCCC=O.
What is the InChIKey of 4-trimethylsilyloxybutanal?
The InChIKey is LHTHVTVTLKMDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2Si/c1-10(2,3)9-7-5-4-6-8/h6H,4-5,7H2,1-3H3.
What are the key properties of 4-trimethylsilyloxybutanal?
4-trimethylsilyloxybutanal has a molecular weight of 160.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilyloxybutanal is sourced from PubChem (CID 12669706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).