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

C46H102O8Si3 — CID 157385733

IUPACbenzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl prop-2-enoate);methane
SMILESC.C.C.C.C.C.C.C.C.C=CC(=O)OCC.C=CC(=O)OCC.CC[Si](C)(C)O[Si](C)(CCCOCCOC)O[Si](C)(C)CC.c1ccccc1.c1ccccc1
InChIInChI=1S/C15H38O4Si3.2C6H6.2C5H8O2.9CH4/c1-9-20(4,5)18-22(8,19-21(6,7)10-2)15-11-12-17-14-13-16-3;2*1-2-4-6-5-3-1;2*1-3-5(6)7-4-2;;;;;;;;;/h9-15H2,1-8H3;2*1-6H;2*3H,1,4H2,2H3;9*1H4
InChIKeyBLKDWYSONJSEKP-UHFFFAOYSA-N
MW867.57 g/mol
LogP15.16
Rot. Bonds17

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

benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl prop-2-enoate);methane (PubChem CID 157385733) has the molecular formula C46H102O8Si3 and a molecular weight of 867.57 g/mol. Its IUPAC name is benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl prop-2-enoate);methane.

Molecular Properties

Compound Namebenzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl prop-2-enoate);methane
PubChem CID157385733
Molecular FormulaC46H102O8Si3
Molecular Weight867.57 g/mol
Exact Mass866.69
IUPAC Namebenzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl prop-2-enoate);methane
SMILESC.C.C.C.C.C.C.C.C.C=CC(=O)OCC.C=CC(=O)OCC.CC[Si](C)(C)O[Si](C)(CCCOCCOC)O[Si](C)(C)CC.c1ccccc1.c1ccccc1
InChIInChI=1S/C15H38O4Si3.2C6H6.2C5H8O2.9CH4/c1-9-20(4,5)18-22(8,19-21(6,7)10-2)15-11-12-17-14-13-16-3;2*1-2-4-6-5-3-1;2*1-3-5(6)7-4-2;;;;;;;;;/h9-15H2,1-8H3;2*1-6H;2*3H,1,4H2,2H3;9*1H4
InChIKeyBLKDWYSONJSEKP-UHFFFAOYSA-N
XLogP15.16
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.57
LogP ≤ 515.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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'}

Analyze benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl prop-2-enoate);methane with MolForge

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Related Compounds

benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl 2-methylprop-2-enoate);methane
CID 158434978
benzene;ethyl-[[[ethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane;bis(ethyl prop-2-enoate);methane
CID 158896368
2-[3-[ethoxy(dimethoxy)silyl]propoxy]ethyl prop-2-enoate
CID 141313483
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl-methyl-bis(trimethylsilyloxy)silane
CID 59760729
3-[[4-methoxybutyl-[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 158648892
3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate
CID 59642122
diethoxy-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-methylsilane
CID 89097099
2-[2-[2-[dimethoxy(methyl)silyl]ethoxy]ethoxy]ethyl prop-2-enoate
CID 171586984
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
CID 87188845
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydrochloride
CID 87359594

Frequently Asked Questions

What is the IUPAC name of benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl prop-2-enoate);methane?
The IUPAC name of benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl prop-2-enoate);methane (CID 157385733) is benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl prop-2-enoate);methane.
What is the SMILES notation for benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl prop-2-enoate);methane?
The canonical SMILES for benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl prop-2-enoate);methane is C.C.C.C.C.C.C.C.C.C=CC(=O)OCC.C=CC(=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 prop-2-enoate);methane?
The InChIKey is BLKDWYSONJSEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H38O4Si3.2C6H6.2C5H8O2.9CH4/c1-9-20(4,5)18-22(8,19-21(6,7)10-2)15-11-12-17-14-13-16-3;2*1-2-4-6-5-3-1;2*1-3-5(6)7-4-2;;;;;;;;;/h9-15H2,1-8H3;2*1-6H;2*3H,1,4H2,2H3;9*1H4.
What are the key properties of benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl prop-2-enoate);methane?
benzene;bis[[ethyl(dimethyl)silyl]oxy]-[3-(2-methoxyethoxy)propyl]-methylsilane;bis(ethyl prop-2-enoate);methane has a molecular weight of 867.57 g/mol, XLogP of 15.16, 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 prop-2-enoate);methane is sourced from PubChem (CID 157385733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).