2,3-bis(3-triethoxysilylpropoxy)propyl 2-methylprop-2-enoate

C25H52O10Si2 — CID 58695545

IUPAC2,3-bis(3-triethoxysilylpropoxy)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(COCCC[Si](OCC)(OCC)OCC)OCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C25H52O10Si2/c1-9-30-36(31-10-2,32-11-3)19-15-17-27-21-24(22-29-25(26)23(7)8)28-18-16-20-37(33-12-4,34-13-5)35-14-6/h24H,7,9-22H2,1-6,8H3
InChIKeyNUQIDACUZJLUEN-UHFFFAOYSA-N
MW568.85 g/mol
LogP4.38
Rot. Bonds26

About 2,3-bis(3-triethoxysilylpropoxy)propyl 2-methylprop-2-enoate

2,3-bis(3-triethoxysilylpropoxy)propyl 2-methylprop-2-enoate (PubChem CID 58695545) has the molecular formula C25H52O10Si2 and a molecular weight of 568.85 g/mol. Its IUPAC name is 2,3-bis(3-triethoxysilylpropoxy)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,3-bis(3-triethoxysilylpropoxy)propyl 2-methylprop-2-enoate
PubChem CID58695545
Molecular FormulaC25H52O10Si2
Molecular Weight568.85 g/mol
Exact Mass568.31
IUPAC Name2,3-bis(3-triethoxysilylpropoxy)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(COCCC[Si](OCC)(OCC)OCC)OCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C25H52O10Si2/c1-9-30-36(31-10-2,32-11-3)19-15-17-27-21-24(22-29-25(26)23(7)8)28-18-16-20-37(33-12-4,34-13-5)35-14-6/h24H,7,9-22H2,1-6,8H3
InChIKeyNUQIDACUZJLUEN-UHFFFAOYSA-N
XLogP4.38
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.85
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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'}

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Related Compounds

2,3-bis(3-triethoxysilylpropoxy)propyl 2,2-dimethylbutanoate
CID 58695535
2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate
CID 139816449
4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977875
3-methyl-1-(3-triethoxysilylpropoxy)but-3-en-2-one
CID 151724691
3-[diethoxy(pentan-2-yloxy)silyl]propyl 2-methylprop-2-enoate
CID 141157653
2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 152545568
2-[2-[2-[3-[2,3-bis[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]propoxy]-2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 123639190
propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174676531
3-(3-triethoxysilylpropoxy)but-3-en-2-one
CID 59428530
[2-(3-hydroxybutoxy)-3-[3-[methyl-bis[(trimethyl-λ4-sulfanyl)oxy]-λ4-sulfanyl]propoxy]propyl] 2-methylprop-2-enoate;propane
CID 142987678
(2-methyl-3-triethoxysilylpropyl) 2-methylprop-2-enoate
CID 22597143
2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]-pentylsilyl]oxyethyl 2-methylprop-2-enoate
CID 101194851

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(3-triethoxysilylpropoxy)propyl 2-methylprop-2-enoate?
The IUPAC name of 2,3-bis(3-triethoxysilylpropoxy)propyl 2-methylprop-2-enoate (CID 58695545) is 2,3-bis(3-triethoxysilylpropoxy)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,3-bis(3-triethoxysilylpropoxy)propyl 2-methylprop-2-enoate?
The canonical SMILES for 2,3-bis(3-triethoxysilylpropoxy)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(COCCC[Si](OCC)(OCC)OCC)OCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 2,3-bis(3-triethoxysilylpropoxy)propyl 2-methylprop-2-enoate?
The InChIKey is NUQIDACUZJLUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O10Si2/c1-9-30-36(31-10-2,32-11-3)19-15-17-27-21-24(22-29-25(26)23(7)8)28-18-16-20-37(33-12-4,34-13-5)35-14-6/h24H,7,9-22H2,1-6,8H3.
What are the key properties of 2,3-bis(3-triethoxysilylpropoxy)propyl 2-methylprop-2-enoate?
2,3-bis(3-triethoxysilylpropoxy)propyl 2-methylprop-2-enoate has a molecular weight of 568.85 g/mol, XLogP of 4.38, 26 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(3-triethoxysilylpropoxy)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 58695545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).