3-[diphenoxy(propyl)silyl]propyl-diphenoxy-propylsilane

C33H40O4Si2 — CID 66772951

IUPAC3-[diphenoxy(propyl)silyl]propyl-diphenoxy-propylsilane
SMILESCCC[Si](CCC[Si](CCC)(Oc1ccccc1)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C33H40O4Si2/c1-3-26-38(34-30-18-9-5-10-19-30,35-31-20-11-6-12-21-31)28-17-29-39(27-4-2,36-32-22-13-7-14-23-32)37-33-24-15-8-16-25-33/h5-16,18-25H,3-4,17,26-29H2,1-2H3
InChIKeyQLUCTPCEHPDZMQ-UHFFFAOYSA-N
MW556.85 g/mol
LogP9.40
Rot. Bonds16

About 3-[diphenoxy(propyl)silyl]propyl-diphenoxy-propylsilane

3-[diphenoxy(propyl)silyl]propyl-diphenoxy-propylsilane (PubChem CID 66772951) has the molecular formula C33H40O4Si2 and a molecular weight of 556.85 g/mol. Its IUPAC name is 3-[diphenoxy(propyl)silyl]propyl-diphenoxy-propylsilane.

Molecular Properties

Compound Name3-[diphenoxy(propyl)silyl]propyl-diphenoxy-propylsilane
PubChem CID66772951
Molecular FormulaC33H40O4Si2
Molecular Weight556.85 g/mol
Exact Mass556.25
IUPAC Name3-[diphenoxy(propyl)silyl]propyl-diphenoxy-propylsilane
SMILESCCC[Si](CCC[Si](CCC)(Oc1ccccc1)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C33H40O4Si2/c1-3-26-38(34-30-18-9-5-10-19-30,35-31-20-11-6-12-21-31)28-17-29-39(27-4-2,36-32-22-13-7-14-23-32)37-33-24-15-8-16-25-33/h5-16,18-25H,3-4,17,26-29H2,1-2H3
InChIKeyQLUCTPCEHPDZMQ-UHFFFAOYSA-N
XLogP9.40
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.85
LogP ≤ 59.40
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 3-[diphenoxy(propyl)silyl]propyl-diphenoxy-propylsilane?
The IUPAC name of 3-[diphenoxy(propyl)silyl]propyl-diphenoxy-propylsilane (CID 66772951) is 3-[diphenoxy(propyl)silyl]propyl-diphenoxy-propylsilane.
What is the SMILES notation for 3-[diphenoxy(propyl)silyl]propyl-diphenoxy-propylsilane?
The canonical SMILES for 3-[diphenoxy(propyl)silyl]propyl-diphenoxy-propylsilane is CCC[Si](CCC[Si](CCC)(Oc1ccccc1)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 3-[diphenoxy(propyl)silyl]propyl-diphenoxy-propylsilane?
The InChIKey is QLUCTPCEHPDZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40O4Si2/c1-3-26-38(34-30-18-9-5-10-19-30,35-31-20-11-6-12-21-31)28-17-29-39(27-4-2,36-32-22-13-7-14-23-32)37-33-24-15-8-16-25-33/h5-16,18-25H,3-4,17,26-29H2,1-2H3.
What are the key properties of 3-[diphenoxy(propyl)silyl]propyl-diphenoxy-propylsilane?
3-[diphenoxy(propyl)silyl]propyl-diphenoxy-propylsilane has a molecular weight of 556.85 g/mol, XLogP of 9.40, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diphenoxy(propyl)silyl]propyl-diphenoxy-propylsilane is sourced from PubChem (CID 66772951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).