3-[(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl-trimethoxysilane

C26H30O6Si — CID 164816375

IUPAC3-[(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl-trimethoxysilane
SMILESCO[Si](CCCOc1ccc2c(c1)COC(c1ccccc1)(c1ccccc1)O2)(OC)OC
InChIInChI=1S/C26H30O6Si/c1-27-33(28-2,29-3)18-10-17-30-24-15-16-25-21(19-24)20-31-26(32-25,22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-9,11-16,19H,10,17-18,20H2,1-3H3
InChIKeyRUYFOONDXJTPLC-UHFFFAOYSA-N
MW466.61 g/mol
LogP5.14
Rot. Bonds10

About 3-[(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl-trimethoxysilane

3-[(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl-trimethoxysilane (PubChem CID 164816375) has the molecular formula C26H30O6Si and a molecular weight of 466.61 g/mol. Its IUPAC name is 3-[(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl-trimethoxysilane.

Molecular Properties

Compound Name3-[(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl-trimethoxysilane
PubChem CID164816375
Molecular FormulaC26H30O6Si
Molecular Weight466.61 g/mol
Exact Mass466.18
IUPAC Name3-[(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl-trimethoxysilane
SMILESCO[Si](CCCOc1ccc2c(c1)COC(c1ccccc1)(c1ccccc1)O2)(OC)OC
InChIInChI=1S/C26H30O6Si/c1-27-33(28-2,29-3)18-10-17-30-24-15-16-25-21(19-24)20-31-26(32-25,22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-9,11-16,19H,10,17-18,20H2,1-3H3
InChIKeyRUYFOONDXJTPLC-UHFFFAOYSA-N
XLogP5.14
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.61
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 3-[(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl-trimethoxysilane?
The IUPAC name of 3-[(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl-trimethoxysilane (CID 164816375) is 3-[(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl-trimethoxysilane.
What is the SMILES notation for 3-[(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl-trimethoxysilane?
The canonical SMILES for 3-[(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl-trimethoxysilane is CO[Si](CCCOc1ccc2c(c1)COC(c1ccccc1)(c1ccccc1)O2)(OC)OC.
What is the InChIKey of 3-[(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl-trimethoxysilane?
The InChIKey is RUYFOONDXJTPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O6Si/c1-27-33(28-2,29-3)18-10-17-30-24-15-16-25-21(19-24)20-31-26(32-25,22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-9,11-16,19H,10,17-18,20H2,1-3H3.
What are the key properties of 3-[(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl-trimethoxysilane?
3-[(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl-trimethoxysilane has a molecular weight of 466.61 g/mol, XLogP of 5.14, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl-trimethoxysilane is sourced from PubChem (CID 164816375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).