butoxy-(oxolan-2-ylmethoxy)-diphenylsilane

C21H28O3Si — CID 91740592

IUPACbutoxy-(oxolan-2-ylmethoxy)-diphenylsilane
SMILESCCCCO[Si](OCC1CCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O3Si/c1-2-3-17-23-25(20-12-6-4-7-13-20,21-14-8-5-9-15-21)24-18-19-11-10-16-22-19/h4-9,12-15,19H,2-3,10-11,16-18H2,1H3
InChIKeyLXDFNLCCJSWEMO-UHFFFAOYSA-N
MW356.54 g/mol
LogP3.26
Rot. Bonds9

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

butoxy-(oxolan-2-ylmethoxy)-diphenylsilane (PubChem CID 91740592) has the molecular formula C21H28O3Si and a molecular weight of 356.54 g/mol. Its IUPAC name is butoxy-(oxolan-2-ylmethoxy)-diphenylsilane.

Molecular Properties

Compound Namebutoxy-(oxolan-2-ylmethoxy)-diphenylsilane
PubChem CID91740592
Molecular FormulaC21H28O3Si
Molecular Weight356.54 g/mol
Exact Mass356.18
IUPAC Namebutoxy-(oxolan-2-ylmethoxy)-diphenylsilane
SMILESCCCCO[Si](OCC1CCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O3Si/c1-2-3-17-23-25(20-12-6-4-7-13-20,21-14-8-5-9-15-21)24-18-19-11-10-16-22-19/h4-9,12-15,19H,2-3,10-11,16-18H2,1H3
InChIKeyLXDFNLCCJSWEMO-UHFFFAOYSA-N
XLogP3.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butoxy-(oxolan-2-ylmethoxy)-diphenylsilane?
The IUPAC name of butoxy-(oxolan-2-ylmethoxy)-diphenylsilane (CID 91740592) is butoxy-(oxolan-2-ylmethoxy)-diphenylsilane.
What is the SMILES notation for butoxy-(oxolan-2-ylmethoxy)-diphenylsilane?
The canonical SMILES for butoxy-(oxolan-2-ylmethoxy)-diphenylsilane is CCCCO[Si](OCC1CCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of butoxy-(oxolan-2-ylmethoxy)-diphenylsilane?
The InChIKey is LXDFNLCCJSWEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O3Si/c1-2-3-17-23-25(20-12-6-4-7-13-20,21-14-8-5-9-15-21)24-18-19-11-10-16-22-19/h4-9,12-15,19H,2-3,10-11,16-18H2,1H3.
What are the key properties of butoxy-(oxolan-2-ylmethoxy)-diphenylsilane?
butoxy-(oxolan-2-ylmethoxy)-diphenylsilane has a molecular weight of 356.54 g/mol, XLogP of 3.26, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-(oxolan-2-ylmethoxy)-diphenylsilane is sourced from PubChem (CID 91740592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).