benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl 2-methylprop-2-enoate);methane

C49H110O8Si3 — CID 158434978

About benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl 2-methylprop-2-enoate);methane

benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl 2-methylprop-2-enoate);methane (PubChem CID 158434978) has the molecular formula C49H110O8Si3 and a molecular weight of 911.67 g/mol. Its IUPAC name is benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl 2-methylprop-2-enoate);methane.

Molecular Properties

• Compound Name: benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl 2-methylprop-2-enoate);methane
• PubChem CID: 158434978
• Molecular Formula: C49H110O8Si3
• Molecular Weight: 911.67 g/mol
• Exact Mass: 910.75
• IUPAC Name: benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl 2-methylprop-2-enoate);methane
• SMILES: C.C.C.C.C.C.C.C.C.C.C=C(C)C(=O)OCC.C=C(C)C(=O)OCC.CC[Si](C)(C)O[Si](C)(CCCOCCOC)O[Si](C)(C)CC.c1ccccc1.c1ccccc1
• InChI: InChI=1S/C15H38O4Si3.2C6H10O2.2C6H6.10CH4/c1-9-20(4,5)18-22(8,19-21(6,7)10-2)15-11-12-17-14-13-16-3;2*1-4-8-6(7)5(2)3;2*1-2-4-6-5-3-1;;;;;;;;;;/h9-15H2,1-8H3;2*2,4H2,1,3H3;2*1-6H;10*1H4
• InChIKey: HCCPPOBOHBEOBN-UHFFFAOYSA-N
• XLogP: 16.58
• TPSA: 89.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.67
LogP ≤ 5	16.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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 benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl 2-methylprop-2-enoate);methane?

The IUPAC name of benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl 2-methylprop-2-enoate);methane (CID 158434978) is benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl 2-methylprop-2-enoate);methane.

What is the SMILES notation for benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl 2-methylprop-2-enoate);methane?

The canonical SMILES for benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl 2-methylprop-2-enoate);methane is C.C.C.C.C.C.C.C.C.C.C=C(C)C(=O)OCC.C=C(C)C(=O)OCC.CC[Si](C)(C)O[Si](C)(CCCOCCOC)O[Si](C)(C)CC.c1ccccc1.c1ccccc1.

What is the InChIKey of benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl 2-methylprop-2-enoate);methane?

The InChIKey is HCCPPOBOHBEOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H38O4Si3.2C6H10O2.2C6H6.10CH4/c1-9-20(4,5)18-22(8,19-21(6,7)10-2)15-11-12-17-14-13-16-3;2*1-4-8-6(7)5(2)3;2*1-2-4-6-5-3-1;;;;;;;;;;/h9-15H2,1-8H3;2*2,4H2,1,3H3;2*1-6H;10*1H4.

What are the key properties of benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl 2-methylprop-2-enoate);methane?

benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl 2-methylprop-2-enoate);methane has a molecular weight of 911.67 g/mol, XLogP of 16.58, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl 2-methylprop-2-enoate);methane is sourced from PubChem (CID 158434978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).