2-methylprop-2-enoic acid;triethyl-[ethyl-(ethyl-phenyl-triethylsilyloxysilyl)oxy-phenylsilyl]oxysilane

C32H56O5Si4 — CID 67819917

IUPAC2-methylprop-2-enoic acid;triethyl-[ethyl-(ethyl-phenyl-triethylsilyloxysilyl)oxy-phenylsilyl]oxysilane
SMILESC=C(C)C(=O)O.CC[Si](CC)(CC)O[Si](CC)(O[Si](CC)(O[Si](CC)(CC)CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H50O3Si4.C4H6O2/c1-9-32(10-2,11-3)29-34(15-7,27-23-19-17-20-24-27)31-35(16-8,28-25-21-18-22-26-28)30-33(12-4,13-5)14-6;1-3(2)4(5)6/h17-26H,9-16H2,1-8H3;1H2,2H3,(H,5,6)
InChIKeyJQHSQLFQKOQGDG-UHFFFAOYSA-N
MW633.14 g/mol
LogP8.43
Rot. Bonds17

About 2-methylprop-2-enoic acid;triethyl-[ethyl-(ethyl-phenyl-triethylsilyloxysilyl)oxy-phenylsilyl]oxysilane

2-methylprop-2-enoic acid;triethyl-[ethyl-(ethyl-phenyl-triethylsilyloxysilyl)oxy-phenylsilyl]oxysilane (PubChem CID 67819917) has the molecular formula C32H56O5Si4 and a molecular weight of 633.14 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;triethyl-[ethyl-(ethyl-phenyl-triethylsilyloxysilyl)oxy-phenylsilyl]oxysilane.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;triethyl-[ethyl-(ethyl-phenyl-triethylsilyloxysilyl)oxy-phenylsilyl]oxysilane
PubChem CID67819917
Molecular FormulaC32H56O5Si4
Molecular Weight633.14 g/mol
Exact Mass632.32
IUPAC Name2-methylprop-2-enoic acid;triethyl-[ethyl-(ethyl-phenyl-triethylsilyloxysilyl)oxy-phenylsilyl]oxysilane
SMILESC=C(C)C(=O)O.CC[Si](CC)(CC)O[Si](CC)(O[Si](CC)(O[Si](CC)(CC)CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H50O3Si4.C4H6O2/c1-9-32(10-2,11-3)29-34(15-7,27-23-19-17-20-24-27)31-35(16-8,28-25-21-18-22-26-28)30-33(12-4,13-5)14-6;1-3(2)4(5)6/h17-26H,9-16H2,1-8H3;1H2,2H3,(H,5,6)
InChIKeyJQHSQLFQKOQGDG-UHFFFAOYSA-N
XLogP8.43
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.14
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[ethyl(diphenyl)silyl] acetate
CID 66773951
biphenylene;2-methylprop-2-enoic acid
CID 174864090
[dimethoxy(phenyl)silyl]methyl 2-methylprop-2-enoate
CID 66629429
boric acid;2-methylprop-2-enoic acid;phenol
CID 175548516
bis(diphenylmethanone);2-methylprop-2-enoic acid
CID 175044660
2-methylprop-2-enoic acid;phenol;hydrofluoride
CID 174940878
benzene;methanol;bis(2-methylprop-2-enoic acid)
CID 175511919
benzoyl benzoate;2-methylprop-2-enoic acid
CID 87155251
2-methylprop-2-enoic acid;trifluoromethylbenzene
CID 175145896
ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid
CID 70039514
3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012650
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;triethyl-[ethyl-(ethyl-phenyl-triethylsilyloxysilyl)oxy-phenylsilyl]oxysilane?
The IUPAC name of 2-methylprop-2-enoic acid;triethyl-[ethyl-(ethyl-phenyl-triethylsilyloxysilyl)oxy-phenylsilyl]oxysilane (CID 67819917) is 2-methylprop-2-enoic acid;triethyl-[ethyl-(ethyl-phenyl-triethylsilyloxysilyl)oxy-phenylsilyl]oxysilane.
What is the SMILES notation for 2-methylprop-2-enoic acid;triethyl-[ethyl-(ethyl-phenyl-triethylsilyloxysilyl)oxy-phenylsilyl]oxysilane?
The canonical SMILES for 2-methylprop-2-enoic acid;triethyl-[ethyl-(ethyl-phenyl-triethylsilyloxysilyl)oxy-phenylsilyl]oxysilane is C=C(C)C(=O)O.CC[Si](CC)(CC)O[Si](CC)(O[Si](CC)(O[Si](CC)(CC)CC)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methylprop-2-enoic acid;triethyl-[ethyl-(ethyl-phenyl-triethylsilyloxysilyl)oxy-phenylsilyl]oxysilane?
The InChIKey is JQHSQLFQKOQGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50O3Si4.C4H6O2/c1-9-32(10-2,11-3)29-34(15-7,27-23-19-17-20-24-27)31-35(16-8,28-25-21-18-22-26-28)30-33(12-4,13-5)14-6;1-3(2)4(5)6/h17-26H,9-16H2,1-8H3;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;triethyl-[ethyl-(ethyl-phenyl-triethylsilyloxysilyl)oxy-phenylsilyl]oxysilane?
2-methylprop-2-enoic acid;triethyl-[ethyl-(ethyl-phenyl-triethylsilyloxysilyl)oxy-phenylsilyl]oxysilane has a molecular weight of 633.14 g/mol, XLogP of 8.43, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;triethyl-[ethyl-(ethyl-phenyl-triethylsilyloxysilyl)oxy-phenylsilyl]oxysilane is sourced from PubChem (CID 67819917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).