ethyl-[2-[ethyl(diphenoxy)silyl]ethyl]-diphenoxysilane

C30H34O4Si2 — CID 66772787

IUPACethyl-[2-[ethyl(diphenoxy)silyl]ethyl]-diphenoxysilane
SMILESCC[Si](CC[Si](CC)(Oc1ccccc1)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C30H34O4Si2/c1-3-35(31-27-17-9-5-10-18-27,32-28-19-11-6-12-20-28)25-26-36(4-2,33-29-21-13-7-14-22-29)34-30-23-15-8-16-24-30/h5-24H,3-4,25-26H2,1-2H3
InChIKeyWQVMDDFCWVVDOX-UHFFFAOYSA-N
MW514.77 g/mol
LogP8.23
Rot. Bonds13

About ethyl-[2-[ethyl(diphenoxy)silyl]ethyl]-diphenoxysilane

ethyl-[2-[ethyl(diphenoxy)silyl]ethyl]-diphenoxysilane (PubChem CID 66772787) has the molecular formula C30H34O4Si2 and a molecular weight of 514.77 g/mol. Its IUPAC name is ethyl-[2-[ethyl(diphenoxy)silyl]ethyl]-diphenoxysilane.

Molecular Properties

Compound Nameethyl-[2-[ethyl(diphenoxy)silyl]ethyl]-diphenoxysilane
PubChem CID66772787
Molecular FormulaC30H34O4Si2
Molecular Weight514.77 g/mol
Exact Mass514.20
IUPAC Nameethyl-[2-[ethyl(diphenoxy)silyl]ethyl]-diphenoxysilane
SMILESCC[Si](CC[Si](CC)(Oc1ccccc1)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C30H34O4Si2/c1-3-35(31-27-17-9-5-10-18-27,32-28-19-11-6-12-20-28)25-26-36(4-2,33-29-21-13-7-14-22-29)34-30-23-15-8-16-24-30/h5-24H,3-4,25-26H2,1-2H3
InChIKeyWQVMDDFCWVVDOX-UHFFFAOYSA-N
XLogP8.23
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.77
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethyl-[2-[ethyl(diphenoxy)silyl]ethyl]-diphenoxysilane?
The IUPAC name of ethyl-[2-[ethyl(diphenoxy)silyl]ethyl]-diphenoxysilane (CID 66772787) is ethyl-[2-[ethyl(diphenoxy)silyl]ethyl]-diphenoxysilane.
What is the SMILES notation for ethyl-[2-[ethyl(diphenoxy)silyl]ethyl]-diphenoxysilane?
The canonical SMILES for ethyl-[2-[ethyl(diphenoxy)silyl]ethyl]-diphenoxysilane is CC[Si](CC[Si](CC)(Oc1ccccc1)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of ethyl-[2-[ethyl(diphenoxy)silyl]ethyl]-diphenoxysilane?
The InChIKey is WQVMDDFCWVVDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O4Si2/c1-3-35(31-27-17-9-5-10-18-27,32-28-19-11-6-12-20-28)25-26-36(4-2,33-29-21-13-7-14-22-29)34-30-23-15-8-16-24-30/h5-24H,3-4,25-26H2,1-2H3.
What are the key properties of ethyl-[2-[ethyl(diphenoxy)silyl]ethyl]-diphenoxysilane?
ethyl-[2-[ethyl(diphenoxy)silyl]ethyl]-diphenoxysilane has a molecular weight of 514.77 g/mol, XLogP of 8.23, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-[ethyl(diphenoxy)silyl]ethyl]-diphenoxysilane is sourced from PubChem (CID 66772787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).