CID 59838932

C57H157NO27Si24 — CID 59838932

IUPAC—
SMILESC=C(C)C(=O)OCCNC(=O)OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si]C
InChIInChI=1S/C57H157NO27Si24/c1-55(2)56(59)61-53-51-58-57(60)62-52-50-54-87(4,5)64-89(8,9)66-91(12,13)68-93(16,17)70-95(20,21)72-97(24,25)74-99(28,29)76-101(32,33)78-103(36,37)80-105(40,41)82-107(44,45)84-109(48,49)85-108(46,47)83-106(42,43)81-104(38,39)79-102(34,35)77-100(30,31)75-98(26,27)73-96(22,23)71-94(18,19)69-92(14,15)67-90(10,11)65-88(6,7)63-86-3/h1,50-54H2,2-49H3,(H,58,60)
InChIKeyALEARGSREXPBSL-UHFFFAOYSA-N
MW1962.93 g/mol
LogP17.92
Rot. Bonds54

About CID 59838932

CID 59838932 (PubChem CID 59838932) has the molecular formula C57H157NO27Si24 and a molecular weight of 1962.93 g/mol.

Molecular Properties

Compound NameCID 59838932
PubChem CID59838932
Molecular FormulaC57H157NO27Si24
Molecular Weight1962.93 g/mol
Exact Mass1959.54
IUPAC Name—
SMILESC=C(C)C(=O)OCCNC(=O)OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si]C
InChIInChI=1S/C57H157NO27Si24/c1-55(2)56(59)61-53-51-58-57(60)62-52-50-54-87(4,5)64-89(8,9)66-91(12,13)68-93(16,17)70-95(20,21)72-97(24,25)74-99(28,29)76-101(32,33)78-103(36,37)80-105(40,41)82-107(44,45)84-109(48,49)85-108(46,47)83-106(42,43)81-104(38,39)79-102(34,35)77-100(30,31)75-98(26,27)73-96(22,23)71-94(18,19)69-92(14,15)67-90(10,11)65-88(6,7)63-86-3/h1,50-54H2,2-49H3,(H,58,60)
InChIKeyALEARGSREXPBSL-UHFFFAOYSA-N
XLogP17.92
TPSA276.92 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds54
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001962.93
LogP ≤ 517.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

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

3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 101031805
2-[3-[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propyl]silyl]oxy-dimethylsilyl]propylcarbamoyloxy]ethyl 2-methylprop-2-enoate;2-[3-[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propyl]silyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;3-[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;2-[3-[[dimethyl-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propyl]silyl]oxy-dimethylsilyl]propylcarbamoyloxy]ethyl prop-2-enoate;2-[3-[[dimethyl-[3-(2-prop-2-enoyloxyethylcarbamoyloxy)propyl]silyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl prop-2-enoate;3-[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy-dimethylsilyl]propyl prop-2-enoate;methane
CID 158930932
3-[[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 164811987
3-[[[[acetyloxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 11826747
2-[3-(methoxy-methyl-trimethylsilyloxysilyl)propoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 58983328
2-[3-[[[[[[[[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate
CID 59620846
carbon dioxide;3-[[[dimethyl(4-methylpent-4-enyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 158834498
2-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate;methane
CID 159570466
3-[[[[[dimethyl(3-propanoyloxypropyl)silyl]oxy-dimethylsilyl]oxy-ethenyl-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 165004417
3-[[3-methoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 59651344
3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 22094222
3-[[dimethyl(2-trimethylsilylethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;tetramethylsilane
CID 157121683

Frequently Asked Questions

What is the IUPAC name of CID 59838932?
The IUPAC name of CID 59838932 (CID 59838932) is not available.
What is the SMILES notation for CID 59838932?
The canonical SMILES for CID 59838932 is C=C(C)C(=O)OCCNC(=O)OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si]C.
What is the InChIKey of CID 59838932?
The InChIKey is ALEARGSREXPBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H157NO27Si24/c1-55(2)56(59)61-53-51-58-57(60)62-52-50-54-87(4,5)64-89(8,9)66-91(12,13)68-93(16,17)70-95(20,21)72-97(24,25)74-99(28,29)76-101(32,33)78-103(36,37)80-105(40,41)82-107(44,45)84-109(48,49)85-108(46,47)83-106(42,43)81-104(38,39)79-102(34,35)77-100(30,31)75-98(26,27)73-96(22,23)71-94(18,19)69-92(14,15)67-90(10,11)65-88(6,7)63-86-3/h1,50-54H2,2-49H3,(H,58,60).
What are the key properties of CID 59838932?
CID 59838932 has a molecular weight of 1962.93 g/mol, XLogP of 17.92, 54 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59838932 is sourced from PubChem (CID 59838932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).