2-[3-[2-[7-[6-[2-[6-[4-[3-[[dimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(oxosilyl)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]oxy-dimethylsilyl]propoxy]butoxymethylamino]hexylcarbamoyloxy]ethoxycarbonylamino]hexylcarbamoyloxy]heptyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate

C53H109N5O23Si13 — CID 123893202

IUPAC2-[3-[2-[7-[6-[2-[6-[4-[3-[[dimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(oxosilyl)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]oxy-dimethylsilyl]propoxy]butoxymethylamino]hexylcarbamoyloxy]ethoxycarbonylamino]hexylcarbamoyloxy]heptyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCCC[Si](C)(C)OC(C)(C)[Si](C)(C)CCCCCCCOC(=O)NCCCCCCNC(=O)OCCOC(=O)NCCCCCCNCOCCCCOCCC[Si](C)(C)O[Si](C)(C)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[SiH]=O
InChIInChI=1S/C53H109N5O23Si13/c1-47(2)48(59)75-40-34-58-52(63)77-39-29-44-92(7,8)80-53(3,4)91(5,6)43-27-19-13-18-24-38-76-49(60)55-31-22-16-17-23-33-57-51(62)79-42-41-78-50(61)56-32-21-15-14-20-30-54-46-74-36-26-25-35-73-37-28-45-93(9,10)81-94(11,12)90(72)89(71)88(70)87(69)86(68)85(67)84(66)83(65)82-64/h54,82H,1,13-46H2,2-12H3,(H,55,60)(H,56,61)(H,57,62)(H,58,63)
InChIKeyPPQPDHGVLQBTKL-UHFFFAOYSA-N
MW1549.59 g/mol
LogP6.18
Rot. Bonds58

About 2-[3-[2-[7-[6-[2-[6-[4-[3-[[dimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(oxosilyl)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]oxy-dimethylsilyl]propoxy]butoxymethylamino]hexylcarbamoyloxy]ethoxycarbonylamino]hexylcarbamoyloxy]heptyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate

2-[3-[2-[7-[6-[2-[6-[4-[3-[[dimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(oxosilyl)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]oxy-dimethylsilyl]propoxy]butoxymethylamino]hexylcarbamoyloxy]ethoxycarbonylamino]hexylcarbamoyloxy]heptyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 123893202) has the molecular formula C53H109N5O23Si13 and a molecular weight of 1549.59 g/mol. Its IUPAC name is 2-[3-[2-[7-[6-[2-[6-[4-[3-[[dimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(oxosilyl)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]oxy-dimethylsilyl]propoxy]butoxymethylamino]hexylcarbamoyloxy]ethoxycarbonylamino]hexylcarbamoyloxy]heptyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[3-[2-[7-[6-[2-[6-[4-[3-[[dimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(oxosilyl)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]oxy-dimethylsilyl]propoxy]butoxymethylamino]hexylcarbamoyloxy]ethoxycarbonylamino]hexylcarbamoyloxy]heptyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate
PubChem CID123893202
Molecular FormulaC53H109N5O23Si13
Molecular Weight1549.59 g/mol
Exact Mass1547.45
IUPAC Name2-[3-[2-[7-[6-[2-[6-[4-[3-[[dimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(oxosilyl)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]oxy-dimethylsilyl]propoxy]butoxymethylamino]hexylcarbamoyloxy]ethoxycarbonylamino]hexylcarbamoyloxy]heptyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCCC[Si](C)(C)OC(C)(C)[Si](C)(C)CCCCCCCOC(=O)NCCCCCCNC(=O)OCCOC(=O)NCCCCCCNCOCCCCOCCC[Si](C)(C)O[Si](C)(C)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[SiH]=O
InChIInChI=1S/C53H109N5O23Si13/c1-47(2)48(59)75-40-34-58-52(63)77-39-29-44-92(7,8)80-53(3,4)91(5,6)43-27-19-13-18-24-38-76-49(60)55-31-22-16-17-23-33-57-51(62)79-42-41-78-50(61)56-32-21-15-14-20-30-54-46-74-36-26-25-35-73-37-28-45-93(9,10)81-94(11,12)90(72)89(71)88(70)87(69)86(68)85(67)84(66)83(65)82-64/h54,82H,1,13-46H2,2-12H3,(H,55,60)(H,56,61)(H,57,62)(H,58,63)
InChIKeyPPQPDHGVLQBTKL-UHFFFAOYSA-N
XLogP6.18
TPSA382.20 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds58
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001549.59
LogP ≤ 56.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[3-[2-[7-[6-[2-[6-[4-[3-[[dimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(oxosilyl)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]oxy-dimethylsilyl]propoxy]butoxymethylamino]hexylcarbamoyloxy]ethoxycarbonylamino]hexylcarbamoyloxy]heptyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate with MolForge

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Related Compounds

3-[[dimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(oxosilyl)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 123917790
CID 58412133
CID 58412133
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
CID 59838932
CID 59838932
2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 129193329
3-[[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 164811987
2-[[6-[3-[6-(ethoxycarbonylamino)hexyl]-5-[6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylamino]methoxy]ethyl 2-methylprop-2-enoate
CID 161339598
2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 152545568
2-[2-[3-(trimethyl-λ4-sulfanyl)propoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 139355367
2-(heptadecylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 171651386
2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 88900855
6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate
CID 171791213

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[7-[6-[2-[6-[4-[3-[[dimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(oxosilyl)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]oxy-dimethylsilyl]propoxy]butoxymethylamino]hexylcarbamoyloxy]ethoxycarbonylamino]hexylcarbamoyloxy]heptyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[3-[2-[7-[6-[2-[6-[4-[3-[[dimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(oxosilyl)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]oxy-dimethylsilyl]propoxy]butoxymethylamino]hexylcarbamoyloxy]ethoxycarbonylamino]hexylcarbamoyloxy]heptyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate (CID 123893202) is 2-[3-[2-[7-[6-[2-[6-[4-[3-[[dimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(oxosilyl)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]oxy-dimethylsilyl]propoxy]butoxymethylamino]hexylcarbamoyloxy]ethoxycarbonylamino]hexylcarbamoyloxy]heptyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[3-[2-[7-[6-[2-[6-[4-[3-[[dimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(oxosilyl)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]oxy-dimethylsilyl]propoxy]butoxymethylamino]hexylcarbamoyloxy]ethoxycarbonylamino]hexylcarbamoyloxy]heptyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[3-[2-[7-[6-[2-[6-[4-[3-[[dimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(oxosilyl)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]oxy-dimethylsilyl]propoxy]butoxymethylamino]hexylcarbamoyloxy]ethoxycarbonylamino]hexylcarbamoyloxy]heptyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OCCC[Si](C)(C)OC(C)(C)[Si](C)(C)CCCCCCCOC(=O)NCCCCCCNC(=O)OCCOC(=O)NCCCCCCNCOCCCCOCCC[Si](C)(C)O[Si](C)(C)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[SiH]=O.
What is the InChIKey of 2-[3-[2-[7-[6-[2-[6-[4-[3-[[dimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(oxosilyl)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]oxy-dimethylsilyl]propoxy]butoxymethylamino]hexylcarbamoyloxy]ethoxycarbonylamino]hexylcarbamoyloxy]heptyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is PPQPDHGVLQBTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H109N5O23Si13/c1-47(2)48(59)75-40-34-58-52(63)77-39-29-44-92(7,8)80-53(3,4)91(5,6)43-27-19-13-18-24-38-76-49(60)55-31-22-16-17-23-33-57-51(62)79-42-41-78-50(61)56-32-21-15-14-20-30-54-46-74-36-26-25-35-73-37-28-45-93(9,10)81-94(11,12)90(72)89(71)88(70)87(69)86(68)85(67)84(66)83(65)82-64/h54,82H,1,13-46H2,2-12H3,(H,55,60)(H,56,61)(H,57,62)(H,58,63).
What are the key properties of 2-[3-[2-[7-[6-[2-[6-[4-[3-[[dimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(oxosilyl)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]oxy-dimethylsilyl]propoxy]butoxymethylamino]hexylcarbamoyloxy]ethoxycarbonylamino]hexylcarbamoyloxy]heptyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate?
2-[3-[2-[7-[6-[2-[6-[4-[3-[[dimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(oxosilyl)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]oxy-dimethylsilyl]propoxy]butoxymethylamino]hexylcarbamoyloxy]ethoxycarbonylamino]hexylcarbamoyloxy]heptyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 1549.59 g/mol, XLogP of 6.18, 58 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[7-[6-[2-[6-[4-[3-[[dimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(oxosilyl)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]oxy-dimethylsilyl]propoxy]butoxymethylamino]hexylcarbamoyloxy]ethoxycarbonylamino]hexylcarbamoyloxy]heptyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 123893202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).