2-cyanatoethyl 2-methylprop-2-enoate;bis(dimethoxy-(3-methoxypropyl)-methylsilane);1-hydroxyethenyl 2-methylprop-2-enoate;2-[1-(2-methylprop-2-enoyloxy)ethenoxycarbonylamino]ethyl 2-methylprop-2-enoate

C40H70N2O18Si2 — CID 157290561

IUPAC2-cyanatoethyl 2-methylprop-2-enoate;bis(dimethoxy-(3-methoxypropyl)-methylsilane);1-hydroxyethenyl 2-methylprop-2-enoate;2-[1-(2-methylprop-2-enoyloxy)ethenoxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC#N.C=C(O)OC(=O)C(=C)C.C=C(OC(=O)NCCOC(=O)C(=C)C)OC(=O)C(=C)C.COCCC[Si](C)(OC)OC.COCCC[Si](C)(OC)OC
InChIInChI=1S/C13H17NO6.C7H9NO3.2C7H18O3Si.C6H8O3/c1-8(2)11(15)18-7-6-14-13(17)20-10(5)19-12(16)9(3)4;1-6(2)7(9)11-4-3-10-5-8;2*1-8-6-5-7-11(4,9-2)10-3;1-4(2)6(8)9-5(3)7/h1,3,5-7H2,2,4H3,(H,14,17);1,3-4H2,2H3;2*5-7H2,1-4H3;7H,1,3H2,2H3
InChIKeyBATFDPIGVFFKJM-UHFFFAOYSA-N
MW923.17 g/mol
LogP5.94
Rot. Bonds25

About 2-cyanatoethyl 2-methylprop-2-enoate;bis(dimethoxy-(3-methoxypropyl)-methylsilane);1-hydroxyethenyl 2-methylprop-2-enoate;2-[1-(2-methylprop-2-enoyloxy)ethenoxycarbonylamino]ethyl 2-methylprop-2-enoate

2-cyanatoethyl 2-methylprop-2-enoate;bis(dimethoxy-(3-methoxypropyl)-methylsilane);1-hydroxyethenyl 2-methylprop-2-enoate;2-[1-(2-methylprop-2-enoyloxy)ethenoxycarbonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 157290561) has the molecular formula C40H70N2O18Si2 and a molecular weight of 923.17 g/mol. Its IUPAC name is 2-cyanatoethyl 2-methylprop-2-enoate;bis(dimethoxy-(3-methoxypropyl)-methylsilane);1-hydroxyethenyl 2-methylprop-2-enoate;2-[1-(2-methylprop-2-enoyloxy)ethenoxycarbonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-cyanatoethyl 2-methylprop-2-enoate;bis(dimethoxy-(3-methoxypropyl)-methylsilane);1-hydroxyethenyl 2-methylprop-2-enoate;2-[1-(2-methylprop-2-enoyloxy)ethenoxycarbonylamino]ethyl 2-methylprop-2-enoate
PubChem CID157290561
Molecular FormulaC40H70N2O18Si2
Molecular Weight923.17 g/mol
Exact Mass922.42
IUPAC Name2-cyanatoethyl 2-methylprop-2-enoate;bis(dimethoxy-(3-methoxypropyl)-methylsilane);1-hydroxyethenyl 2-methylprop-2-enoate;2-[1-(2-methylprop-2-enoyloxy)ethenoxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC#N.C=C(O)OC(=O)C(=C)C.C=C(OC(=O)NCCOC(=O)C(=C)C)OC(=O)C(=C)C.COCCC[Si](C)(OC)OC.COCCC[Si](C)(OC)OC
InChIInChI=1S/C13H17NO6.C7H9NO3.2C7H18O3Si.C6H8O3/c1-8(2)11(15)18-7-6-14-13(17)20-10(5)19-12(16)9(3)4;1-6(2)7(9)11-4-3-10-5-8;2*1-8-6-5-7-11(4,9-2)10-3;1-4(2)6(8)9-5(3)7/h1,3,5-7H2,2,4H3,(H,14,17);1,3-4H2,2H3;2*5-7H2,1-4H3;7H,1,3H2,2H3
InChIKeyBATFDPIGVFFKJM-UHFFFAOYSA-N
XLogP5.94
TPSA252.16 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500923.17
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-cyanatoethyl 2-methylprop-2-enoate;bis(dimethoxy-(3-methoxypropyl)-methylsilane);1-hydroxyethenyl 2-methylprop-2-enoate;2-[1-(2-methylprop-2-enoyloxy)ethenoxycarbonylamino]ethyl 2-methylprop-2-enoate with MolForge

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Related Compounds

2-[3-(methoxy-methyl-trimethylsilyloxysilyl)propoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 58983328
3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;3-[methoxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 87862843
3-[dimethoxy(methyl)silyl]propyl N-[2-(3-methyl-2-oxobut-3-enoxy)ethyl]carbamate
CID 158336407
2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
3-[2-[dimethoxy(methyl)silyl]ethoxy]propyl 2-methylprop-2-enoate
CID 171586989
3-[[3-methoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 59651344
3-[3-[2-[dimethoxy(methyl)silyl]ethoxy]propoxy]propyl 2-methylprop-2-enoate
CID 171586980
2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate
CID 158258560
2-(2-methylprop-2-enoyloxy)ethyl 4-cyanatobutanoate
CID 129107798
3-[methyl-bis(methylperoxy)silyl]propyl 2-methylprop-2-enoate
CID 141453327
2-(3-cyanatopropanoyloxy)ethyl 2-methylprop-2-enoate
CID 129129901
3-(3-methoxypropylcarbamoylamino)propyl 2-methylprop-2-enoate
CID 169159810

Frequently Asked Questions

What is the IUPAC name of 2-cyanatoethyl 2-methylprop-2-enoate;bis(dimethoxy-(3-methoxypropyl)-methylsilane);1-hydroxyethenyl 2-methylprop-2-enoate;2-[1-(2-methylprop-2-enoyloxy)ethenoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-cyanatoethyl 2-methylprop-2-enoate;bis(dimethoxy-(3-methoxypropyl)-methylsilane);1-hydroxyethenyl 2-methylprop-2-enoate;2-[1-(2-methylprop-2-enoyloxy)ethenoxycarbonylamino]ethyl 2-methylprop-2-enoate (CID 157290561) is 2-cyanatoethyl 2-methylprop-2-enoate;bis(dimethoxy-(3-methoxypropyl)-methylsilane);1-hydroxyethenyl 2-methylprop-2-enoate;2-[1-(2-methylprop-2-enoyloxy)ethenoxycarbonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-cyanatoethyl 2-methylprop-2-enoate;bis(dimethoxy-(3-methoxypropyl)-methylsilane);1-hydroxyethenyl 2-methylprop-2-enoate;2-[1-(2-methylprop-2-enoyloxy)ethenoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-cyanatoethyl 2-methylprop-2-enoate;bis(dimethoxy-(3-methoxypropyl)-methylsilane);1-hydroxyethenyl 2-methylprop-2-enoate;2-[1-(2-methylprop-2-enoyloxy)ethenoxycarbonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC#N.C=C(O)OC(=O)C(=C)C.C=C(OC(=O)NCCOC(=O)C(=C)C)OC(=O)C(=C)C.COCCC[Si](C)(OC)OC.COCCC[Si](C)(OC)OC.
What is the InChIKey of 2-cyanatoethyl 2-methylprop-2-enoate;bis(dimethoxy-(3-methoxypropyl)-methylsilane);1-hydroxyethenyl 2-methylprop-2-enoate;2-[1-(2-methylprop-2-enoyloxy)ethenoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is BATFDPIGVFFKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6.C7H9NO3.2C7H18O3Si.C6H8O3/c1-8(2)11(15)18-7-6-14-13(17)20-10(5)19-12(16)9(3)4;1-6(2)7(9)11-4-3-10-5-8;2*1-8-6-5-7-11(4,9-2)10-3;1-4(2)6(8)9-5(3)7/h1,3,5-7H2,2,4H3,(H,14,17);1,3-4H2,2H3;2*5-7H2,1-4H3;7H,1,3H2,2H3.
What are the key properties of 2-cyanatoethyl 2-methylprop-2-enoate;bis(dimethoxy-(3-methoxypropyl)-methylsilane);1-hydroxyethenyl 2-methylprop-2-enoate;2-[1-(2-methylprop-2-enoyloxy)ethenoxycarbonylamino]ethyl 2-methylprop-2-enoate?
2-cyanatoethyl 2-methylprop-2-enoate;bis(dimethoxy-(3-methoxypropyl)-methylsilane);1-hydroxyethenyl 2-methylprop-2-enoate;2-[1-(2-methylprop-2-enoyloxy)ethenoxycarbonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 923.17 g/mol, XLogP of 5.94, 25 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanatoethyl 2-methylprop-2-enoate;bis(dimethoxy-(3-methoxypropyl)-methylsilane);1-hydroxyethenyl 2-methylprop-2-enoate;2-[1-(2-methylprop-2-enoyloxy)ethenoxycarbonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 157290561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).