bis(3-ethylsilylpropyl prop-2-enoate);2-[2-(methoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate;tris(2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate);2-(methoxycarbonylamino)ethyl prop-2-enoate;2-methoxyethyl N-(3-ethylsilylpropyl)carbamate;bis(methyl N-(6-isocyanatohexyl)carbamate);methyl N-[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate

C100H166N12O37Si3 — CID 159362776

IUPACbis(3-ethylsilylpropyl prop-2-enoate);2-[2-(methoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate;tris(2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate);2-(methoxycarbonylamino)ethyl prop-2-enoate;2-methoxyethyl N-(3-ethylsilylpropyl)carbamate;bis(methyl N-(6-isocyanatohexyl)carbamate);methyl N-[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate
SMILESC=C(C)C(=O)OCCNC(=O)OC.C=C(C)C(=O)OCCNC(=O)OC.C=C(C)C(=O)OCCNC(=O)OC.C=C(C)C(=O)OCCOCCNC(=O)OC.C=CC(=O)OCCC[SiH2]CC.C=CC(=O)OCCC[SiH2]CC.C=CC(=O)OCCNC(=O)OC.CC[SiH2]CCCNC(=O)OCCOC.COC(=O)NCCCCCCN=C=O.COC(=O)NCCCCCCN=C=O.COC(=O)Nc1ccc(Cc2ccc(N=C=O)cc2)cc1
InChIInChI=1S/C16H14N2O3.C10H17NO5.2C9H16N2O3.C9H21NO3Si.3C8H13NO4.2C8H16O2Si.C7H11NO4/c1-21-16(20)18-15-8-4-13(5-9-15)10-12-2-6-14(7-3-12)17-11-19;1-8(2)9(12)16-7-6-15-5-4-11-10(13)14-3;2*1-14-9(13)11-7-5-3-2-4-6-10-8-12;1-3-14-8-4-5-10-9(11)13-7-6-12-2;3*1-6(2)7(10)13-5-4-9-8(11)12-3;2*1-3-8(9)10-6-5-7-11-4-2;1-3-6(9)12-5-4-8-7(10)11-2/h2-9H,10H2,1H3,(H,18,20);1,4-7H2,2-3H3,(H,11,13);2*2-7H2,1H3,(H,11,13);3-8,14H2,1-2H3,(H,10,11);3*1,4-5H2,2-3H3,(H,9,11);2*3H,1,4-7,11H2,2H3;3H,1,4-5H2,2H3,(H,8,10)
InChIKeyLITCFKFQZJUAPU-UHFFFAOYSA-N
MW2212.73 g/mol
LogP10.87
Rot. Bonds61

About bis(3-ethylsilylpropyl prop-2-enoate);2-[2-(methoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate;tris(2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate);2-(methoxycarbonylamino)ethyl prop-2-enoate;2-methoxyethyl N-(3-ethylsilylpropyl)carbamate;bis(methyl N-(6-isocyanatohexyl)carbamate);methyl N-[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate

bis(3-ethylsilylpropyl prop-2-enoate);2-[2-(methoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate;tris(2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate);2-(methoxycarbonylamino)ethyl prop-2-enoate;2-methoxyethyl N-(3-ethylsilylpropyl)carbamate;bis(methyl N-(6-isocyanatohexyl)carbamate);methyl N-[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate (PubChem CID 159362776) has the molecular formula C100H166N12O37Si3 and a molecular weight of 2212.73 g/mol. Its IUPAC name is bis(3-ethylsilylpropyl prop-2-enoate);2-[2-(methoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate;tris(2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate);2-(methoxycarbonylamino)ethyl prop-2-enoate;2-methoxyethyl N-(3-ethylsilylpropyl)carbamate;bis(methyl N-(6-isocyanatohexyl)carbamate);methyl N-[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate.

Molecular Properties

Compound Namebis(3-ethylsilylpropyl prop-2-enoate);2-[2-(methoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate;tris(2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate);2-(methoxycarbonylamino)ethyl prop-2-enoate;2-methoxyethyl N-(3-ethylsilylpropyl)carbamate;bis(methyl N-(6-isocyanatohexyl)carbamate);methyl N-[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate
PubChem CID159362776
Molecular FormulaC100H166N12O37Si3
Molecular Weight2212.73 g/mol
Exact Mass2211.08
IUPAC Namebis(3-ethylsilylpropyl prop-2-enoate);2-[2-(methoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate;tris(2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate);2-(methoxycarbonylamino)ethyl prop-2-enoate;2-methoxyethyl N-(3-ethylsilylpropyl)carbamate;bis(methyl N-(6-isocyanatohexyl)carbamate);methyl N-[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate
SMILESC=C(C)C(=O)OCCNC(=O)OC.C=C(C)C(=O)OCCNC(=O)OC.C=C(C)C(=O)OCCNC(=O)OC.C=C(C)C(=O)OCCOCCNC(=O)OC.C=CC(=O)OCCC[SiH2]CC.C=CC(=O)OCCC[SiH2]CC.C=CC(=O)OCCNC(=O)OC.CC[SiH2]CCCNC(=O)OCCOC.COC(=O)NCCCCCCN=C=O.COC(=O)NCCCCCCN=C=O.COC(=O)Nc1ccc(Cc2ccc(N=C=O)cc2)cc1
InChIInChI=1S/C16H14N2O3.C10H17NO5.2C9H16N2O3.C9H21NO3Si.3C8H13NO4.2C8H16O2Si.C7H11NO4/c1-21-16(20)18-15-8-4-13(5-9-15)10-12-2-6-14(7-3-12)17-11-19;1-8(2)9(12)16-7-6-15-5-4-11-10(13)14-3;2*1-14-9(13)11-7-5-3-2-4-6-10-8-12;1-3-14-8-4-5-10-9(11)13-7-6-12-2;3*1-6(2)7(10)13-5-4-9-8(11)12-3;2*1-3-8(9)10-6-5-7-11-4-2;1-3-6(9)12-5-4-8-7(10)11-2/h2-9H,10H2,1H3,(H,18,20);1,4-7H2,2-3H3,(H,11,13);2*2-7H2,1H3,(H,11,13);3-8,14H2,1-2H3,(H,10,11);3*1,4-5H2,2-3H3,(H,9,11);2*3H,1,4-7,11H2,2H3;3H,1,4-5H2,2H3,(H,8,10)
InChIKeyLITCFKFQZJUAPU-UHFFFAOYSA-N
XLogP10.87
TPSA635.82 Ų
H-Bond Donors9
H-Bond Acceptors40
Rotatable Bonds61
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002212.73
LogP ≤ 510.87
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze bis(3-ethylsilylpropyl prop-2-enoate);2-[2-(methoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate;tris(2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate);2-(methoxycarbonylamino)ethyl prop-2-enoate;2-methoxyethyl N-(3-ethylsilylpropyl)carbamate;bis(methyl N-(6-isocyanatohexyl)carbamate);methyl N-[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate with MolForge

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Related Compounds

methyl N-[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate
CID 11818380
4-[4-[[4-[(4-isocyanatophenyl)methyl]phenyl]carbamoyloxy]butoxy]butyl N-[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate
CID 20730777
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;nonyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 160761810
dichloromethane;1,6-diisocyanatohexane;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-methoxyethyl N-(6-isocyanatohexyl)carbamate
CID 159237363
2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate;2-(2-methoxyethoxy)ethyl prop-2-enoate
CID 87967520
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
2-cyanoethyl 2-methylbutanoate;2-ethoxyethyl 2-methylbutanoate;2-methoxyethyl 2-methylbutanoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylbutanoate;bis(2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl 2-methylbutanoate)
CID 158015209
2-[3-[2-[[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamoyloxy]ethoxy]propoxy]ethyl 2-methylprop-2-enoate
CID 22892452
2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate
CID 162702779
2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 129193329
butyl 2-methylprop-2-enoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate
CID 159107941
[(Z)-butan-2-ylideneamino] N-[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate
CID 135308146

Frequently Asked Questions

What is the IUPAC name of bis(3-ethylsilylpropyl prop-2-enoate);2-[2-(methoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate;tris(2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate);2-(methoxycarbonylamino)ethyl prop-2-enoate;2-methoxyethyl N-(3-ethylsilylpropyl)carbamate;bis(methyl N-(6-isocyanatohexyl)carbamate);methyl N-[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate?
The IUPAC name of bis(3-ethylsilylpropyl prop-2-enoate);2-[2-(methoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate;tris(2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate);2-(methoxycarbonylamino)ethyl prop-2-enoate;2-methoxyethyl N-(3-ethylsilylpropyl)carbamate;bis(methyl N-(6-isocyanatohexyl)carbamate);methyl N-[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate (CID 159362776) is bis(3-ethylsilylpropyl prop-2-enoate);2-[2-(methoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate;tris(2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate);2-(methoxycarbonylamino)ethyl prop-2-enoate;2-methoxyethyl N-(3-ethylsilylpropyl)carbamate;bis(methyl N-(6-isocyanatohexyl)carbamate);methyl N-[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate.
What is the SMILES notation for bis(3-ethylsilylpropyl prop-2-enoate);2-[2-(methoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate;tris(2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate);2-(methoxycarbonylamino)ethyl prop-2-enoate;2-methoxyethyl N-(3-ethylsilylpropyl)carbamate;bis(methyl N-(6-isocyanatohexyl)carbamate);methyl N-[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate?
The canonical SMILES for bis(3-ethylsilylpropyl prop-2-enoate);2-[2-(methoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate;tris(2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate);2-(methoxycarbonylamino)ethyl prop-2-enoate;2-methoxyethyl N-(3-ethylsilylpropyl)carbamate;bis(methyl N-(6-isocyanatohexyl)carbamate);methyl N-[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate is C=C(C)C(=O)OCCNC(=O)OC.C=C(C)C(=O)OCCNC(=O)OC.C=C(C)C(=O)OCCNC(=O)OC.C=C(C)C(=O)OCCOCCNC(=O)OC.C=CC(=O)OCCC[SiH2]CC.C=CC(=O)OCCC[SiH2]CC.C=CC(=O)OCCNC(=O)OC.CC[SiH2]CCCNC(=O)OCCOC.COC(=O)NCCCCCCN=C=O.COC(=O)NCCCCCCN=C=O.COC(=O)Nc1ccc(Cc2ccc(N=C=O)cc2)cc1.
What is the InChIKey of bis(3-ethylsilylpropyl prop-2-enoate);2-[2-(methoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate;tris(2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate);2-(methoxycarbonylamino)ethyl prop-2-enoate;2-methoxyethyl N-(3-ethylsilylpropyl)carbamate;bis(methyl N-(6-isocyanatohexyl)carbamate);methyl N-[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate?
The InChIKey is LITCFKFQZJUAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3.C10H17NO5.2C9H16N2O3.C9H21NO3Si.3C8H13NO4.2C8H16O2Si.C7H11NO4/c1-21-16(20)18-15-8-4-13(5-9-15)10-12-2-6-14(7-3-12)17-11-19;1-8(2)9(12)16-7-6-15-5-4-11-10(13)14-3;2*1-14-9(13)11-7-5-3-2-4-6-10-8-12;1-3-14-8-4-5-10-9(11)13-7-6-12-2;3*1-6(2)7(10)13-5-4-9-8(11)12-3;2*1-3-8(9)10-6-5-7-11-4-2;1-3-6(9)12-5-4-8-7(10)11-2/h2-9H,10H2,1H3,(H,18,20);1,4-7H2,2-3H3,(H,11,13);2*2-7H2,1H3,(H,11,13);3-8,14H2,1-2H3,(H,10,11);3*1,4-5H2,2-3H3,(H,9,11);2*3H,1,4-7,11H2,2H3;3H,1,4-5H2,2H3,(H,8,10).
What are the key properties of bis(3-ethylsilylpropyl prop-2-enoate);2-[2-(methoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate;tris(2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate);2-(methoxycarbonylamino)ethyl prop-2-enoate;2-methoxyethyl N-(3-ethylsilylpropyl)carbamate;bis(methyl N-(6-isocyanatohexyl)carbamate);methyl N-[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate?
bis(3-ethylsilylpropyl prop-2-enoate);2-[2-(methoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate;tris(2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate);2-(methoxycarbonylamino)ethyl prop-2-enoate;2-methoxyethyl N-(3-ethylsilylpropyl)carbamate;bis(methyl N-(6-isocyanatohexyl)carbamate);methyl N-[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate has a molecular weight of 2212.73 g/mol, XLogP of 10.87, 61 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-ethylsilylpropyl prop-2-enoate);2-[2-(methoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate;tris(2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate);2-(methoxycarbonylamino)ethyl prop-2-enoate;2-methoxyethyl N-(3-ethylsilylpropyl)carbamate;bis(methyl N-(6-isocyanatohexyl)carbamate);methyl N-[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate is sourced from PubChem (CID 159362776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).