diethyl-[(3-phenoxyphenyl)methoxy]-propoxysilane

C20H28O3Si — CID 91742291

IUPACdiethyl-[(3-phenoxyphenyl)methoxy]-propoxysilane
SMILESCCCO[Si](CC)(CC)OCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H28O3Si/c1-4-15-21-24(5-2,6-3)22-17-18-11-10-14-20(16-18)23-19-12-8-7-9-13-19/h7-14,16H,4-6,15,17H2,1-3H3
InChIKeyJDGRJFNCHBKBFU-UHFFFAOYSA-N
MW344.53 g/mol
LogP5.90
Rot. Bonds10

About diethyl-[(3-phenoxyphenyl)methoxy]-propoxysilane

diethyl-[(3-phenoxyphenyl)methoxy]-propoxysilane (PubChem CID 91742291) has the molecular formula C20H28O3Si and a molecular weight of 344.53 g/mol. Its IUPAC name is diethyl-[(3-phenoxyphenyl)methoxy]-propoxysilane.

Molecular Properties

Compound Namediethyl-[(3-phenoxyphenyl)methoxy]-propoxysilane
PubChem CID91742291
Molecular FormulaC20H28O3Si
Molecular Weight344.53 g/mol
Exact Mass344.18
IUPAC Namediethyl-[(3-phenoxyphenyl)methoxy]-propoxysilane
SMILESCCCO[Si](CC)(CC)OCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H28O3Si/c1-4-15-21-24(5-2,6-3)22-17-18-11-10-14-20(16-18)23-19-12-8-7-9-13-19/h7-14,16H,4-6,15,17H2,1-3H3
InChIKeyJDGRJFNCHBKBFU-UHFFFAOYSA-N
XLogP5.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.53
LogP ≤ 55.90
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 diethyl-[(3-phenoxyphenyl)methoxy]-propoxysilane?
The IUPAC name of diethyl-[(3-phenoxyphenyl)methoxy]-propoxysilane (CID 91742291) is diethyl-[(3-phenoxyphenyl)methoxy]-propoxysilane.
What is the SMILES notation for diethyl-[(3-phenoxyphenyl)methoxy]-propoxysilane?
The canonical SMILES for diethyl-[(3-phenoxyphenyl)methoxy]-propoxysilane is CCCO[Si](CC)(CC)OCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of diethyl-[(3-phenoxyphenyl)methoxy]-propoxysilane?
The InChIKey is JDGRJFNCHBKBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O3Si/c1-4-15-21-24(5-2,6-3)22-17-18-11-10-14-20(16-18)23-19-12-8-7-9-13-19/h7-14,16H,4-6,15,17H2,1-3H3.
What are the key properties of diethyl-[(3-phenoxyphenyl)methoxy]-propoxysilane?
diethyl-[(3-phenoxyphenyl)methoxy]-propoxysilane has a molecular weight of 344.53 g/mol, XLogP of 5.90, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(3-phenoxyphenyl)methoxy]-propoxysilane is sourced from PubChem (CID 91742291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).