2-methylpropoxy-(oxolan-2-ylmethoxy)-diphenylsilane

C21H28O3Si — CID 91740591

IUPAC2-methylpropoxy-(oxolan-2-ylmethoxy)-diphenylsilane
SMILESCC(C)CO[Si](OCC1CCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O3Si/c1-18(2)16-23-25(20-11-5-3-6-12-20,21-13-7-4-8-14-21)24-17-19-10-9-15-22-19/h3-8,11-14,18-19H,9-10,15-17H2,1-2H3
InChIKeyOGEIGFKYTKHADN-UHFFFAOYSA-N
MW356.54 g/mol
LogP3.11
Rot. Bonds8

About 2-methylpropoxy-(oxolan-2-ylmethoxy)-diphenylsilane

2-methylpropoxy-(oxolan-2-ylmethoxy)-diphenylsilane (PubChem CID 91740591) has the molecular formula C21H28O3Si and a molecular weight of 356.54 g/mol. Its IUPAC name is 2-methylpropoxy-(oxolan-2-ylmethoxy)-diphenylsilane.

Molecular Properties

Compound Name2-methylpropoxy-(oxolan-2-ylmethoxy)-diphenylsilane
PubChem CID91740591
Molecular FormulaC21H28O3Si
Molecular Weight356.54 g/mol
Exact Mass356.18
IUPAC Name2-methylpropoxy-(oxolan-2-ylmethoxy)-diphenylsilane
SMILESCC(C)CO[Si](OCC1CCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O3Si/c1-18(2)16-23-25(20-11-5-3-6-12-20,21-13-7-4-8-14-21)24-17-19-10-9-15-22-19/h3-8,11-14,18-19H,9-10,15-17H2,1-2H3
InChIKeyOGEIGFKYTKHADN-UHFFFAOYSA-N
XLogP3.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-methylpropoxy-(oxolan-2-ylmethoxy)-diphenylsilane?
The IUPAC name of 2-methylpropoxy-(oxolan-2-ylmethoxy)-diphenylsilane (CID 91740591) is 2-methylpropoxy-(oxolan-2-ylmethoxy)-diphenylsilane.
What is the SMILES notation for 2-methylpropoxy-(oxolan-2-ylmethoxy)-diphenylsilane?
The canonical SMILES for 2-methylpropoxy-(oxolan-2-ylmethoxy)-diphenylsilane is CC(C)CO[Si](OCC1CCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methylpropoxy-(oxolan-2-ylmethoxy)-diphenylsilane?
The InChIKey is OGEIGFKYTKHADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O3Si/c1-18(2)16-23-25(20-11-5-3-6-12-20,21-13-7-4-8-14-21)24-17-19-10-9-15-22-19/h3-8,11-14,18-19H,9-10,15-17H2,1-2H3.
What are the key properties of 2-methylpropoxy-(oxolan-2-ylmethoxy)-diphenylsilane?
2-methylpropoxy-(oxolan-2-ylmethoxy)-diphenylsilane has a molecular weight of 356.54 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropoxy-(oxolan-2-ylmethoxy)-diphenylsilane is sourced from PubChem (CID 91740591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).