diethoxy-ethyl-methylsilane;ethenyl-tri(propan-2-yloxy)silane;N-(3-triethoxysilylpropyl)prop-2-enamide;3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate

C46H99NO14Si4 — CID 162261905

IUPACdiethoxy-ethyl-methylsilane;ethenyl-tri(propan-2-yloxy)silane;N-(3-triethoxysilylpropyl)prop-2-enamide;3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OC(C)C)(OC(C)C)OC(C)C.C=CC(=O)NCCC[Si](OCC)(OCC)OCC.C=C[Si](OC(C)C)(OC(C)C)OC(C)C.CCO[Si](C)(CC)OCC
InChIInChI=1S/C16H32O5Si.C12H25NO4Si.C11H24O3Si.C7H18O2Si/c1-12(2)16(17)18-10-9-11-22(19-13(3)4,20-14(5)6)21-15(7)8;1-5-12(14)13-10-9-11-18(15-6-2,16-7-3)17-8-4;1-8-15(12-9(2)3,13-10(4)5)14-11(6)7;1-5-8-10(4,7-3)9-6-2/h13-15H,1,9-11H2,2-8H3;5H,1,6-11H2,2-4H3,(H,13,14);8-11H,1H2,2-7H3;5-7H2,1-4H3
InChIKeyZZJBMPFPRSOOJA-UHFFFAOYSA-N
MW1002.63 g/mol
LogP10.51
Rot. Bonds34

About diethoxy-ethyl-methylsilane;ethenyl-tri(propan-2-yloxy)silane;N-(3-triethoxysilylpropyl)prop-2-enamide;3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate

diethoxy-ethyl-methylsilane;ethenyl-tri(propan-2-yloxy)silane;N-(3-triethoxysilylpropyl)prop-2-enamide;3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate (PubChem CID 162261905) has the molecular formula C46H99NO14Si4 and a molecular weight of 1002.63 g/mol. Its IUPAC name is diethoxy-ethyl-methylsilane;ethenyl-tri(propan-2-yloxy)silane;N-(3-triethoxysilylpropyl)prop-2-enamide;3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namediethoxy-ethyl-methylsilane;ethenyl-tri(propan-2-yloxy)silane;N-(3-triethoxysilylpropyl)prop-2-enamide;3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate
PubChem CID162261905
Molecular FormulaC46H99NO14Si4
Molecular Weight1002.63 g/mol
Exact Mass1001.61
IUPAC Namediethoxy-ethyl-methylsilane;ethenyl-tri(propan-2-yloxy)silane;N-(3-triethoxysilylpropyl)prop-2-enamide;3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OC(C)C)(OC(C)C)OC(C)C.C=CC(=O)NCCC[Si](OCC)(OCC)OCC.C=C[Si](OC(C)C)(OC(C)C)OC(C)C.CCO[Si](C)(CC)OCC
InChIInChI=1S/C16H32O5Si.C12H25NO4Si.C11H24O3Si.C7H18O2Si/c1-12(2)16(17)18-10-9-11-22(19-13(3)4,20-14(5)6)21-15(7)8;1-5-12(14)13-10-9-11-18(15-6-2,16-7-3)17-8-4;1-8-15(12-9(2)3,13-10(4)5)14-11(6)7;1-5-8-10(4,7-3)9-6-2/h13-15H,1,9-11H2,2-8H3;5H,1,6-11H2,2-4H3,(H,13,14);8-11H,1H2,2-7H3;5-7H2,1-4H3
InChIKeyZZJBMPFPRSOOJA-UHFFFAOYSA-N
XLogP10.51
TPSA156.93 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds34
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001002.63
LogP ≤ 510.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

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

N-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide
CID 141007708
[diacetyloxy(ethenyl)silyl] acetate;ethenyl(triethoxy)silane;ethenyl-tri(propan-2-yloxy)silane;ethenyl-tris(prop-2-enoxy)silane;triethoxy(prop-2-enyl)silane;trimethoxy(oct-7-enyl)silane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 161235304
3-[diethoxy(pentan-2-yloxy)silyl]propyl 2-methylprop-2-enoate
CID 141157653
3-[dimethoxy-[(prop-2-enoylamino)methoxy]silyl]propyl 2-methylprop-2-enoate
CID 139788654
3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate
CID 140990688
2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 152545568
3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;tetraethyl silicate
CID 87080022
4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977875
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
CID 87188845
N-[3-[ethoxy-bis[3-(prop-2-enoylamino)propyl]silyl]propyl]prop-2-enamide
CID 139841313
2-[ethyl-methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]silyl]oxyethyl 2-methylprop-2-enoate
CID 123640715
11-(ethoxy-methyl-propan-2-yloxysilyl)undecyl prop-2-enoate
CID 141479415

Frequently Asked Questions

What is the IUPAC name of diethoxy-ethyl-methylsilane;ethenyl-tri(propan-2-yloxy)silane;N-(3-triethoxysilylpropyl)prop-2-enamide;3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate?
The IUPAC name of diethoxy-ethyl-methylsilane;ethenyl-tri(propan-2-yloxy)silane;N-(3-triethoxysilylpropyl)prop-2-enamide;3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate (CID 162261905) is diethoxy-ethyl-methylsilane;ethenyl-tri(propan-2-yloxy)silane;N-(3-triethoxysilylpropyl)prop-2-enamide;3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for diethoxy-ethyl-methylsilane;ethenyl-tri(propan-2-yloxy)silane;N-(3-triethoxysilylpropyl)prop-2-enamide;3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate?
The canonical SMILES for diethoxy-ethyl-methylsilane;ethenyl-tri(propan-2-yloxy)silane;N-(3-triethoxysilylpropyl)prop-2-enamide;3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](OC(C)C)(OC(C)C)OC(C)C.C=CC(=O)NCCC[Si](OCC)(OCC)OCC.C=C[Si](OC(C)C)(OC(C)C)OC(C)C.CCO[Si](C)(CC)OCC.
What is the InChIKey of diethoxy-ethyl-methylsilane;ethenyl-tri(propan-2-yloxy)silane;N-(3-triethoxysilylpropyl)prop-2-enamide;3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate?
The InChIKey is ZZJBMPFPRSOOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5Si.C12H25NO4Si.C11H24O3Si.C7H18O2Si/c1-12(2)16(17)18-10-9-11-22(19-13(3)4,20-14(5)6)21-15(7)8;1-5-12(14)13-10-9-11-18(15-6-2,16-7-3)17-8-4;1-8-15(12-9(2)3,13-10(4)5)14-11(6)7;1-5-8-10(4,7-3)9-6-2/h13-15H,1,9-11H2,2-8H3;5H,1,6-11H2,2-4H3,(H,13,14);8-11H,1H2,2-7H3;5-7H2,1-4H3.
What are the key properties of diethoxy-ethyl-methylsilane;ethenyl-tri(propan-2-yloxy)silane;N-(3-triethoxysilylpropyl)prop-2-enamide;3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate?
diethoxy-ethyl-methylsilane;ethenyl-tri(propan-2-yloxy)silane;N-(3-triethoxysilylpropyl)prop-2-enamide;3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate has a molecular weight of 1002.63 g/mol, XLogP of 10.51, 34 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-ethyl-methylsilane;ethenyl-tri(propan-2-yloxy)silane;N-(3-triethoxysilylpropyl)prop-2-enamide;3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 162261905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).