methane;2,2,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;3-trimethoxysilylpropyl 2-methylprop-2-enoate

C16H42O9Si5 — CID 158389436

About methane;2,2,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;3-trimethoxysilylpropyl 2-methylprop-2-enoate

methane;2,2,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;3-trimethoxysilylpropyl 2-methylprop-2-enoate (PubChem CID 158389436) has the molecular formula C16H42O9Si5 and a molecular weight of 518.93 g/mol. Its IUPAC name is methane;2,2,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;3-trimethoxysilylpropyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: methane;2,2,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
• PubChem CID: 158389436
• Molecular Formula: C16H42O9Si5
• Molecular Weight: 518.93 g/mol
• Exact Mass: 518.17
• IUPAC Name: methane;2,2,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
• SMILES: C.C=C(C)C(=O)OCCC[Si](OC)(OC)OC.C[SiH]1O[SiH](C)O[Si](C)(C)O[SiH](C)O1
• InChI: InChI=1S/C10H20O5Si.C5H18O4Si4.CH4/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-10-6-11(2)8-13(4,5)9-12(3)7-10;/h1,6-8H2,2-5H3;10-12H,1-5H3;1H4
• InChIKey: GWTPYQWPIUDTMZ-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 90.91 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.93
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;2,2,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;3-trimethoxysilylpropyl 2-methylprop-2-enoate?

The IUPAC name of methane;2,2,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;3-trimethoxysilylpropyl 2-methylprop-2-enoate (CID 158389436) is methane;2,2,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;3-trimethoxysilylpropyl 2-methylprop-2-enoate.

What is the SMILES notation for methane;2,2,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;3-trimethoxysilylpropyl 2-methylprop-2-enoate?

The canonical SMILES for methane;2,2,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;3-trimethoxysilylpropyl 2-methylprop-2-enoate is C.C=C(C)C(=O)OCCC[Si](OC)(OC)OC.C[SiH]1O[SiH](C)O[Si](C)(C)O[SiH](C)O1.

What is the InChIKey of methane;2,2,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;3-trimethoxysilylpropyl 2-methylprop-2-enoate?

The InChIKey is GWTPYQWPIUDTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si.C5H18O4Si4.CH4/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-10-6-11(2)8-13(4,5)9-12(3)7-10;/h1,6-8H2,2-5H3;10-12H,1-5H3;1H4.

What are the key properties of methane;2,2,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;3-trimethoxysilylpropyl 2-methylprop-2-enoate?

methane;2,2,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;3-trimethoxysilylpropyl 2-methylprop-2-enoate has a molecular weight of 518.93 g/mol, XLogP of 2.33, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2,2,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;3-trimethoxysilylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 158389436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).