1-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethenyl 2-methylprop-2-enoate;tris(dimethoxy-(3-methoxypropyl)-methylsilane);2-(2-hydroxyethylamino)ethanol;bis(1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate)

C56H106N2O25Si3 — CID 158398630

IUPAC1-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethenyl 2-methylprop-2-enoate;tris(dimethoxy-(3-methoxypropyl)-methylsilane);2-(2-hydroxyethylamino)ethanol;bis(1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate)
SMILESC=C(OC(=O)CCN(CCO)CCO)OC(=O)C(=C)C.C=CC(=O)OC(=C)OC(=O)C(=C)C.C=CC(=O)OC(=C)OC(=O)C(=C)C.COCCC[Si](C)(OC)OC.COCCC[Si](C)(OC)OC.COCCC[Si](C)(OC)OC.OCCNCCO
InChIInChI=1S/C13H21NO6.2C9H10O4.3C7H18O3Si.C4H11NO2/c1-10(2)13(18)20-11(3)19-12(17)4-5-14(6-8-15)7-9-16;2*1-5-8(10)12-7(4)13-9(11)6(2)3;3*1-8-6-5-7-11(4,9-2)10-3;6-3-1-5-2-4-7/h15-16H,1,3-9H2,2H3;2*5H,1-2,4H2,3H3;3*5-7H2,1-4H3;5-7H,1-4H2
InChIKeyGXVGKTGJOYUOBL-UHFFFAOYSA-N
MW1291.71 g/mol
LogP5.13
Rot. Bonds40

About 1-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethenyl 2-methylprop-2-enoate;tris(dimethoxy-(3-methoxypropyl)-methylsilane);2-(2-hydroxyethylamino)ethanol;bis(1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate)

1-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethenyl 2-methylprop-2-enoate;tris(dimethoxy-(3-methoxypropyl)-methylsilane);2-(2-hydroxyethylamino)ethanol;bis(1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate) (PubChem CID 158398630) has the molecular formula C56H106N2O25Si3 and a molecular weight of 1291.71 g/mol. Its IUPAC name is 1-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethenyl 2-methylprop-2-enoate;tris(dimethoxy-(3-methoxypropyl)-methylsilane);2-(2-hydroxyethylamino)ethanol;bis(1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate).

Molecular Properties

Compound Name1-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethenyl 2-methylprop-2-enoate;tris(dimethoxy-(3-methoxypropyl)-methylsilane);2-(2-hydroxyethylamino)ethanol;bis(1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate)
PubChem CID158398630
Molecular FormulaC56H106N2O25Si3
Molecular Weight1291.71 g/mol
Exact Mass1290.64
IUPAC Name1-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethenyl 2-methylprop-2-enoate;tris(dimethoxy-(3-methoxypropyl)-methylsilane);2-(2-hydroxyethylamino)ethanol;bis(1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate)
SMILESC=C(OC(=O)CCN(CCO)CCO)OC(=O)C(=C)C.C=CC(=O)OC(=C)OC(=O)C(=C)C.C=CC(=O)OC(=C)OC(=O)C(=C)C.COCCC[Si](C)(OC)OC.COCCC[Si](C)(OC)OC.COCCC[Si](C)(OC)OC.OCCNCCO
InChIInChI=1S/C13H21NO6.2C9H10O4.3C7H18O3Si.C4H11NO2/c1-10(2)13(18)20-11(3)19-12(17)4-5-14(6-8-15)7-9-16;2*1-5-8(10)12-7(4)13-9(11)6(2)3;3*1-8-6-5-7-11(4,9-2)10-3;6-3-1-5-2-4-7/h15-16H,1,3-9H2,2H3;2*5H,1-2,4H2,3H3;3*5-7H2,1-4H3;5-7H,1-4H2
InChIKeyGXVGKTGJOYUOBL-UHFFFAOYSA-N
XLogP5.13
TPSA337.06 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds40
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001291.71
LogP ≤ 55.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

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

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Related Compounds

10-diethoxyphosphoryldecan-1-amine;1-[3-[3-(10-diethoxyphosphoryldecylamino)-3-oxopropyl]sulfanylpropanoyloxy]ethenyl 2-methylprop-2-enoate;tetrakis(dimethoxy-(3-methoxypropyl)-methylsilane);3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoic acid;10-[3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoylamino]decylphosphonic acid;1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate
CID 159839521
butane-1,4-diol;prop-2-enoyl 2-methylprop-2-enoate
CID 87815570
2-[3-[dimethoxy(methyl)silyl]propylamino]ethanol
CID 23089047
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
3-[bis(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate
CID 20603675
[3-[dimethoxy(methyl)silyl]propylamino] prop-2-enoate
CID 59383622
butane;prop-2-enoyl 2-methylprop-2-enoate
CID 174895083
[dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate;3-[dimethoxy(methyl)silyl]propyl prop-2-enoate
CID 88604956
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-trichlorosilylpropyl prop-2-enoate
CID 87857692
N-[3-[dimethoxy(methyl)silyl]propyl]prop-2-enamide
CID 23152140
prop-2-enoyl 2-methylprop-2-enoate;zinc
CID 146295420
3-hydroxypropyl prop-2-enoate;methyl 2-methylprop-2-enoate
CID 86583983

Frequently Asked Questions

What is the IUPAC name of 1-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethenyl 2-methylprop-2-enoate;tris(dimethoxy-(3-methoxypropyl)-methylsilane);2-(2-hydroxyethylamino)ethanol;bis(1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate)?
The IUPAC name of 1-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethenyl 2-methylprop-2-enoate;tris(dimethoxy-(3-methoxypropyl)-methylsilane);2-(2-hydroxyethylamino)ethanol;bis(1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate) (CID 158398630) is 1-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethenyl 2-methylprop-2-enoate;tris(dimethoxy-(3-methoxypropyl)-methylsilane);2-(2-hydroxyethylamino)ethanol;bis(1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate).
What is the SMILES notation for 1-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethenyl 2-methylprop-2-enoate;tris(dimethoxy-(3-methoxypropyl)-methylsilane);2-(2-hydroxyethylamino)ethanol;bis(1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate)?
The canonical SMILES for 1-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethenyl 2-methylprop-2-enoate;tris(dimethoxy-(3-methoxypropyl)-methylsilane);2-(2-hydroxyethylamino)ethanol;bis(1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate) is C=C(OC(=O)CCN(CCO)CCO)OC(=O)C(=C)C.C=CC(=O)OC(=C)OC(=O)C(=C)C.C=CC(=O)OC(=C)OC(=O)C(=C)C.COCCC[Si](C)(OC)OC.COCCC[Si](C)(OC)OC.COCCC[Si](C)(OC)OC.OCCNCCO.
What is the InChIKey of 1-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethenyl 2-methylprop-2-enoate;tris(dimethoxy-(3-methoxypropyl)-methylsilane);2-(2-hydroxyethylamino)ethanol;bis(1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate)?
The InChIKey is GXVGKTGJOYUOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO6.2C9H10O4.3C7H18O3Si.C4H11NO2/c1-10(2)13(18)20-11(3)19-12(17)4-5-14(6-8-15)7-9-16;2*1-5-8(10)12-7(4)13-9(11)6(2)3;3*1-8-6-5-7-11(4,9-2)10-3;6-3-1-5-2-4-7/h15-16H,1,3-9H2,2H3;2*5H,1-2,4H2,3H3;3*5-7H2,1-4H3;5-7H,1-4H2.
What are the key properties of 1-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethenyl 2-methylprop-2-enoate;tris(dimethoxy-(3-methoxypropyl)-methylsilane);2-(2-hydroxyethylamino)ethanol;bis(1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate)?
1-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethenyl 2-methylprop-2-enoate;tris(dimethoxy-(3-methoxypropyl)-methylsilane);2-(2-hydroxyethylamino)ethanol;bis(1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate) has a molecular weight of 1291.71 g/mol, XLogP of 5.13, 40 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethenyl 2-methylprop-2-enoate;tris(dimethoxy-(3-methoxypropyl)-methylsilane);2-(2-hydroxyethylamino)ethanol;bis(1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate) is sourced from PubChem (CID 158398630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).