diethoxy-methyl-(2,3,3-trimethylbutan-2-yloxy)silane

C12H28O3Si — CID 87174028

IUPACdiethoxy-methyl-(2,3,3-trimethylbutan-2-yloxy)silane
SMILESCCO[Si](C)(OCC)OC(C)(C)C(C)(C)C
InChIInChI=1S/C12H28O3Si/c1-9-13-16(8,14-10-2)15-12(6,7)11(3,4)5/h9-10H2,1-8H3
InChIKeySLNPQNVHYKLRLF-UHFFFAOYSA-N
MW248.44 g/mol
LogP3.47
Rot. Bonds6

About diethoxy-methyl-(2,3,3-trimethylbutan-2-yloxy)silane

diethoxy-methyl-(2,3,3-trimethylbutan-2-yloxy)silane (PubChem CID 87174028) has the molecular formula C12H28O3Si and a molecular weight of 248.44 g/mol. Its IUPAC name is diethoxy-methyl-(2,3,3-trimethylbutan-2-yloxy)silane.

Molecular Properties

Compound Namediethoxy-methyl-(2,3,3-trimethylbutan-2-yloxy)silane
PubChem CID87174028
Molecular FormulaC12H28O3Si
Molecular Weight248.44 g/mol
Exact Mass248.18
IUPAC Namediethoxy-methyl-(2,3,3-trimethylbutan-2-yloxy)silane
SMILESCCO[Si](C)(OCC)OC(C)(C)C(C)(C)C
InChIInChI=1S/C12H28O3Si/c1-9-13-16(8,14-10-2)15-12(6,7)11(3,4)5/h9-10H2,1-8H3
InChIKeySLNPQNVHYKLRLF-UHFFFAOYSA-N
XLogP3.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze diethoxy-methyl-(2,3,3-trimethylbutan-2-yloxy)silane 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 diethoxy-methyl-(2,3,3-trimethylbutan-2-yloxy)silane?
The IUPAC name of diethoxy-methyl-(2,3,3-trimethylbutan-2-yloxy)silane (CID 87174028) is diethoxy-methyl-(2,3,3-trimethylbutan-2-yloxy)silane.
What is the SMILES notation for diethoxy-methyl-(2,3,3-trimethylbutan-2-yloxy)silane?
The canonical SMILES for diethoxy-methyl-(2,3,3-trimethylbutan-2-yloxy)silane is CCO[Si](C)(OCC)OC(C)(C)C(C)(C)C.
What is the InChIKey of diethoxy-methyl-(2,3,3-trimethylbutan-2-yloxy)silane?
The InChIKey is SLNPQNVHYKLRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3Si/c1-9-13-16(8,14-10-2)15-12(6,7)11(3,4)5/h9-10H2,1-8H3.
What are the key properties of diethoxy-methyl-(2,3,3-trimethylbutan-2-yloxy)silane?
diethoxy-methyl-(2,3,3-trimethylbutan-2-yloxy)silane has a molecular weight of 248.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methyl-(2,3,3-trimethylbutan-2-yloxy)silane is sourced from PubChem (CID 87174028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).