3-[6-(1,4-dioxocan-2-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane

C16H40O9Si5 — CID 59987090

IUPAC3-[6-(1,4-dioxocan-2-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane
SMILESCO[Si](CCC[Si]1(C)O[SiH](C)O[Si](C)(C2COCCCCO2)O[SiH](C)O1)(OC)OC
InChIInChI=1S/C16H40O9Si5/c1-17-30(18-2,19-3)14-10-13-28(6)22-26(4)24-29(7,25-27(5)23-28)16-15-20-11-8-9-12-21-16/h16,26-27H,8-15H2,1-7H3
InChIKeyINNGWTZJPSRTDB-UHFFFAOYSA-N
MW516.92 g/mol
LogP1.91
Rot. Bonds8

About 3-[6-(1,4-dioxocan-2-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane

3-[6-(1,4-dioxocan-2-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane (PubChem CID 59987090) has the molecular formula C16H40O9Si5 and a molecular weight of 516.92 g/mol. Its IUPAC name is 3-[6-(1,4-dioxocan-2-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane.

Molecular Properties

Compound Name3-[6-(1,4-dioxocan-2-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane
PubChem CID59987090
Molecular FormulaC16H40O9Si5
Molecular Weight516.92 g/mol
Exact Mass516.15
IUPAC Name3-[6-(1,4-dioxocan-2-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane
SMILESCO[Si](CCC[Si]1(C)O[SiH](C)O[Si](C)(C2COCCCCO2)O[SiH](C)O1)(OC)OC
InChIInChI=1S/C16H40O9Si5/c1-17-30(18-2,19-3)14-10-13-28(6)22-26(4)24-29(7,25-27(5)23-28)16-15-20-11-8-9-12-21-16/h16,26-27H,8-15H2,1-7H3
InChIKeyINNGWTZJPSRTDB-UHFFFAOYSA-N
XLogP1.91
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.92
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[6-(1,4-dioxocan-2-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1,4-dioxocan-2-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane?
The IUPAC name of 3-[6-(1,4-dioxocan-2-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane (CID 59987090) is 3-[6-(1,4-dioxocan-2-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane.
What is the SMILES notation for 3-[6-(1,4-dioxocan-2-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane?
The canonical SMILES for 3-[6-(1,4-dioxocan-2-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane is CO[Si](CCC[Si]1(C)O[SiH](C)O[Si](C)(C2COCCCCO2)O[SiH](C)O1)(OC)OC.
What is the InChIKey of 3-[6-(1,4-dioxocan-2-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane?
The InChIKey is INNGWTZJPSRTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40O9Si5/c1-17-30(18-2,19-3)14-10-13-28(6)22-26(4)24-29(7,25-27(5)23-28)16-15-20-11-8-9-12-21-16/h16,26-27H,8-15H2,1-7H3.
What are the key properties of 3-[6-(1,4-dioxocan-2-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane?
3-[6-(1,4-dioxocan-2-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane has a molecular weight of 516.92 g/mol, XLogP of 1.91, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1,4-dioxocan-2-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane is sourced from PubChem (CID 59987090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).