ethenyl-ethoxy-methyl-(2,4,4-trimethylpentoxy)silane

C13H28O2Si — CID 91708113

IUPACethenyl-ethoxy-methyl-(2,4,4-trimethylpentoxy)silane
SMILESC=C[Si](C)(OCC)OCC(C)CC(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-8-14-16(7,9-2)15-11-12(3)10-13(4,5)6/h9,12H,2,8,10-11H2,1,3-7H3
InChIKeyCZPYFSCTWVEOBO-UHFFFAOYSA-N
MW244.45 g/mol
LogP3.91
Rot. Bonds7

About ethenyl-ethoxy-methyl-(2,4,4-trimethylpentoxy)silane

ethenyl-ethoxy-methyl-(2,4,4-trimethylpentoxy)silane (PubChem CID 91708113) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is ethenyl-ethoxy-methyl-(2,4,4-trimethylpentoxy)silane.

Molecular Properties

Compound Nameethenyl-ethoxy-methyl-(2,4,4-trimethylpentoxy)silane
PubChem CID91708113
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Nameethenyl-ethoxy-methyl-(2,4,4-trimethylpentoxy)silane
SMILESC=C[Si](C)(OCC)OCC(C)CC(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-8-14-16(7,9-2)15-11-12(3)10-13(4,5)6/h9,12H,2,8,10-11H2,1,3-7H3
InChIKeyCZPYFSCTWVEOBO-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.91
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

Silane, methylvinyldi(3-methylbutoxy)-
CID 91736447
Tert-butyl-(4,4-dimethylpentoxy)-dimethylsilane
CID 59819312
Silane, methylvinyl(2-methylpent-3-yloxy)butoxy-
CID 91718375
Silane, methylvinyl(2,4,4-trimethylpentyloxy)isopropoxy-
CID 91723174
Silane, methylvinyl(2,4,4-trimethylpentyloxy)propoxy-
CID 91723249
Silane, methylvinyl(2,4,4-trimethylpentyloxy)isobutoxy-
CID 91726236
Silane, methylvinyl(2,4,4-trimethylpentyloxy)butoxy-
CID 91726237
Silane, methylvinyl(2,4,4-trimethylpentyloxy)(methylvinyl(2,4,4-trimethylpentyloxy)silyloxy)-
CID 91726539
Silane, methylvinyl(3-methylbutoxy)ethoxy-
CID 91730047
Silane, methylvinyl(2,4,4-trimethylpentyloxy)pentyloxy-
CID 91730083
Silane, methylvinyl(3-methylbutoxy)propoxy-
CID 91733089
Silane, methylvinyl(2,4,4-trimethylpentyloxy)(methylvinylethoxysilyloxy)-
CID 91733146

Frequently Asked Questions

What is the IUPAC name of ethenyl-ethoxy-methyl-(2,4,4-trimethylpentoxy)silane?
The IUPAC name of ethenyl-ethoxy-methyl-(2,4,4-trimethylpentoxy)silane (CID 91708113) is ethenyl-ethoxy-methyl-(2,4,4-trimethylpentoxy)silane.
What is the SMILES notation for ethenyl-ethoxy-methyl-(2,4,4-trimethylpentoxy)silane?
The canonical SMILES for ethenyl-ethoxy-methyl-(2,4,4-trimethylpentoxy)silane is C=C[Si](C)(OCC)OCC(C)CC(C)(C)C.
What is the InChIKey of ethenyl-ethoxy-methyl-(2,4,4-trimethylpentoxy)silane?
The InChIKey is CZPYFSCTWVEOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-8-14-16(7,9-2)15-11-12(3)10-13(4,5)6/h9,12H,2,8,10-11H2,1,3-7H3.
What are the key properties of ethenyl-ethoxy-methyl-(2,4,4-trimethylpentoxy)silane?
ethenyl-ethoxy-methyl-(2,4,4-trimethylpentoxy)silane has a molecular weight of 244.45 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-ethoxy-methyl-(2,4,4-trimethylpentoxy)silane is sourced from PubChem (CID 91708113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).