butyl-(2,2-dimethylpropyl)-ethoxy-methoxysilane

C12H28O2Si — CID 141442950

IUPACbutyl-(2,2-dimethylpropyl)-ethoxy-methoxysilane
SMILESCCCC[Si](CC(C)(C)C)(OC)OCC
InChIInChI=1S/C12H28O2Si/c1-7-9-10-15(13-6,14-8-2)11-12(3,4)5/h7-11H2,1-6H3
InChIKeyGMPRMUVOXBMHIW-UHFFFAOYSA-N
MW232.44 g/mol
LogP3.96
Rot. Bonds7

About butyl-(2,2-dimethylpropyl)-ethoxy-methoxysilane

butyl-(2,2-dimethylpropyl)-ethoxy-methoxysilane (PubChem CID 141442950) has the molecular formula C12H28O2Si and a molecular weight of 232.44 g/mol. Its IUPAC name is butyl-(2,2-dimethylpropyl)-ethoxy-methoxysilane.

Molecular Properties

Compound Namebutyl-(2,2-dimethylpropyl)-ethoxy-methoxysilane
PubChem CID141442950
Molecular FormulaC12H28O2Si
Molecular Weight232.44 g/mol
Exact Mass232.19
IUPAC Namebutyl-(2,2-dimethylpropyl)-ethoxy-methoxysilane
SMILESCCCC[Si](CC(C)(C)C)(OC)OCC
InChIInChI=1S/C12H28O2Si/c1-7-9-10-15(13-6,14-8-2)11-12(3,4)5/h7-11H2,1-6H3
InChIKeyGMPRMUVOXBMHIW-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethoxy-methoxy-propyl-tetradecylsilane
CID 141078244
butyl-diethoxy-tetradecylsilane
CID 139614088
diethoxy-hexadecyl-tridecylsilane
CID 139614117
butyl-dimethoxy-tetradecylsilane
CID 139614249
butyl-decyl-dimethoxysilane
CID 141135588
decyl-diethoxy-tridecylsilane
CID 139614334
diethoxy-heptadecyl-pentadecylsilane
CID 139614360
diethoxy-icosyl-undecylsilane
CID 139614143
(1-bromo-1-chloroethoxy)-butyl-ethoxy-propylsilane
CID 172844712
hexyl-dimethoxy-undecylsilane
CID 139614316
hexyl-dimethoxy-nonadecylsilane
CID 139614220
dimethoxy-pentadecyl-undecylsilane
CID 139614261

Frequently Asked Questions

What is the IUPAC name of butyl-(2,2-dimethylpropyl)-ethoxy-methoxysilane?
The IUPAC name of butyl-(2,2-dimethylpropyl)-ethoxy-methoxysilane (CID 141442950) is butyl-(2,2-dimethylpropyl)-ethoxy-methoxysilane.
What is the SMILES notation for butyl-(2,2-dimethylpropyl)-ethoxy-methoxysilane?
The canonical SMILES for butyl-(2,2-dimethylpropyl)-ethoxy-methoxysilane is CCCC[Si](CC(C)(C)C)(OC)OCC.
What is the InChIKey of butyl-(2,2-dimethylpropyl)-ethoxy-methoxysilane?
The InChIKey is GMPRMUVOXBMHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2Si/c1-7-9-10-15(13-6,14-8-2)11-12(3,4)5/h7-11H2,1-6H3.
What are the key properties of butyl-(2,2-dimethylpropyl)-ethoxy-methoxysilane?
butyl-(2,2-dimethylpropyl)-ethoxy-methoxysilane has a molecular weight of 232.44 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2,2-dimethylpropyl)-ethoxy-methoxysilane is sourced from PubChem (CID 141442950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).