butyl-(3,3-dimethoxybutoxy)-dimethylsilane

C12H28O3Si — CID 175242658

IUPACbutyl-(3,3-dimethoxybutoxy)-dimethylsilane
SMILESCCCC[Si](C)(C)OCCC(C)(OC)OC
InChIInChI=1S/C12H28O3Si/c1-7-8-11-16(5,6)15-10-9-12(2,13-3)14-4/h7-11H2,1-6H3
InChIKeyKAEZRQLPTYBZHK-UHFFFAOYSA-N
MW248.44 g/mol
LogP3.41
Rot. Bonds9

About butyl-(3,3-dimethoxybutoxy)-dimethylsilane

butyl-(3,3-dimethoxybutoxy)-dimethylsilane (PubChem CID 175242658) has the molecular formula C12H28O3Si and a molecular weight of 248.44 g/mol. Its IUPAC name is butyl-(3,3-dimethoxybutoxy)-dimethylsilane.

Molecular Properties

Compound Namebutyl-(3,3-dimethoxybutoxy)-dimethylsilane
PubChem CID175242658
Molecular FormulaC12H28O3Si
Molecular Weight248.44 g/mol
Exact Mass248.18
IUPAC Namebutyl-(3,3-dimethoxybutoxy)-dimethylsilane
SMILESCCCC[Si](C)(C)OCCC(C)(OC)OC
InChIInChI=1S/C12H28O3Si/c1-7-8-11-16(5,6)15-10-9-12(2,13-3)14-4/h7-11H2,1-6H3
InChIKeyKAEZRQLPTYBZHK-UHFFFAOYSA-N
XLogP3.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze butyl-(3,3-dimethoxybutoxy)-dimethylsilane 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 butyl-(3,3-dimethoxybutoxy)-dimethylsilane?
The IUPAC name of butyl-(3,3-dimethoxybutoxy)-dimethylsilane (CID 175242658) is butyl-(3,3-dimethoxybutoxy)-dimethylsilane.
What is the SMILES notation for butyl-(3,3-dimethoxybutoxy)-dimethylsilane?
The canonical SMILES for butyl-(3,3-dimethoxybutoxy)-dimethylsilane is CCCC[Si](C)(C)OCCC(C)(OC)OC.
What is the InChIKey of butyl-(3,3-dimethoxybutoxy)-dimethylsilane?
The InChIKey is KAEZRQLPTYBZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3Si/c1-7-8-11-16(5,6)15-10-9-12(2,13-3)14-4/h7-11H2,1-6H3.
What are the key properties of butyl-(3,3-dimethoxybutoxy)-dimethylsilane?
butyl-(3,3-dimethoxybutoxy)-dimethylsilane has a molecular weight of 248.44 g/mol, XLogP of 3.41, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(3,3-dimethoxybutoxy)-dimethylsilane is sourced from PubChem (CID 175242658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).