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

C15H38O9Si5 — CID 59979369

IUPAC2-[4-(1,5-dioxocan-3-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane
SMILESCO[Si](CC[Si]1(C)O[SiH](C)O[SiH](C)O[Si](C)(C2COCCCOC2)O1)(OC)OC
InChIInChI=1S/C15H38O9Si5/c1-16-29(17-2,18-3)12-11-27(6)22-25(4)21-26(5)23-28(7,24-27)15-13-19-9-8-10-20-14-15/h15,25-26H,8-14H2,1-7H3
InChIKeyJMJLJYBJXGRQSN-UHFFFAOYSA-N
MW502.89 g/mol
LogP1.60
Rot. Bonds7

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

2-[4-(1,5-dioxocan-3-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane (PubChem CID 59979369) has the molecular formula C15H38O9Si5 and a molecular weight of 502.89 g/mol. Its IUPAC name is 2-[4-(1,5-dioxocan-3-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane.

Molecular Properties

Compound Name2-[4-(1,5-dioxocan-3-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane
PubChem CID59979369
Molecular FormulaC15H38O9Si5
Molecular Weight502.89 g/mol
Exact Mass502.14
IUPAC Name2-[4-(1,5-dioxocan-3-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane
SMILESCO[Si](CC[Si]1(C)O[SiH](C)O[SiH](C)O[Si](C)(C2COCCCOC2)O1)(OC)OC
InChIInChI=1S/C15H38O9Si5/c1-16-29(17-2,18-3)12-11-27(6)22-25(4)21-26(5)23-28(7,24-27)15-13-19-9-8-10-20-14-15/h15,25-26H,8-14H2,1-7H3
InChIKeyJMJLJYBJXGRQSN-UHFFFAOYSA-N
XLogP1.60
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.89
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,5-dioxocan-3-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane?
The IUPAC name of 2-[4-(1,5-dioxocan-3-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane (CID 59979369) is 2-[4-(1,5-dioxocan-3-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane.
What is the SMILES notation for 2-[4-(1,5-dioxocan-3-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane?
The canonical SMILES for 2-[4-(1,5-dioxocan-3-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane is CO[Si](CC[Si]1(C)O[SiH](C)O[SiH](C)O[Si](C)(C2COCCCOC2)O1)(OC)OC.
What is the InChIKey of 2-[4-(1,5-dioxocan-3-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane?
The InChIKey is JMJLJYBJXGRQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H38O9Si5/c1-16-29(17-2,18-3)12-11-27(6)22-25(4)21-26(5)23-28(7,24-27)15-13-19-9-8-10-20-14-15/h15,25-26H,8-14H2,1-7H3.
What are the key properties of 2-[4-(1,5-dioxocan-3-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane?
2-[4-(1,5-dioxocan-3-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane has a molecular weight of 502.89 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,5-dioxocan-3-yl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane is sourced from PubChem (CID 59979369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).