benzyl-(3-ethoxy-2,2-dimethylpropoxy)-dimethylsilane

C16H28O2Si — CID 69302822

IUPACbenzyl-(3-ethoxy-2,2-dimethylpropoxy)-dimethylsilane
SMILESCCOCC(C)(C)CO[Si](C)(C)Cc1ccccc1
InChIInChI=1S/C16H28O2Si/c1-6-17-13-16(2,3)14-18-19(4,5)12-15-10-8-7-9-11-15/h7-11H,6,12-14H2,1-5H3
InChIKeyMDTVFJGLXCVJQG-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.05
Rot. Bonds8

About benzyl-(3-ethoxy-2,2-dimethylpropoxy)-dimethylsilane

benzyl-(3-ethoxy-2,2-dimethylpropoxy)-dimethylsilane (PubChem CID 69302822) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is benzyl-(3-ethoxy-2,2-dimethylpropoxy)-dimethylsilane.

Molecular Properties

Compound Namebenzyl-(3-ethoxy-2,2-dimethylpropoxy)-dimethylsilane
PubChem CID69302822
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Namebenzyl-(3-ethoxy-2,2-dimethylpropoxy)-dimethylsilane
SMILESCCOCC(C)(C)CO[Si](C)(C)Cc1ccccc1
InChIInChI=1S/C16H28O2Si/c1-6-17-13-16(2,3)14-18-19(4,5)12-15-10-8-7-9-11-15/h7-11H,6,12-14H2,1-5H3
InChIKeyMDTVFJGLXCVJQG-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl-(3-ethoxy-2,2-dimethylpropoxy)-dimethylsilane?
The IUPAC name of benzyl-(3-ethoxy-2,2-dimethylpropoxy)-dimethylsilane (CID 69302822) is benzyl-(3-ethoxy-2,2-dimethylpropoxy)-dimethylsilane.
What is the SMILES notation for benzyl-(3-ethoxy-2,2-dimethylpropoxy)-dimethylsilane?
The canonical SMILES for benzyl-(3-ethoxy-2,2-dimethylpropoxy)-dimethylsilane is CCOCC(C)(C)CO[Si](C)(C)Cc1ccccc1.
What is the InChIKey of benzyl-(3-ethoxy-2,2-dimethylpropoxy)-dimethylsilane?
The InChIKey is MDTVFJGLXCVJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-6-17-13-16(2,3)14-18-19(4,5)12-15-10-8-7-9-11-15/h7-11H,6,12-14H2,1-5H3.
What are the key properties of benzyl-(3-ethoxy-2,2-dimethylpropoxy)-dimethylsilane?
benzyl-(3-ethoxy-2,2-dimethylpropoxy)-dimethylsilane has a molecular weight of 280.48 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(3-ethoxy-2,2-dimethylpropoxy)-dimethylsilane is sourced from PubChem (CID 69302822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).