2-[2-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate

C22H37NO5Si2 — CID 153496123

IUPAC2-[2-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OCCOCCC[Si](C)(C)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C22H37NO5Si2/c1-7-21(24)27-15-13-23-22(25)28-17-16-26-14-8-18-30(5,6)20-11-9-19(10-12-20)29(2,3)4/h7,9-12H,1,8,13-18H2,2-6H3,(H,23,25)
InChIKeyJYOIIJGZQUZIJW-UHFFFAOYSA-N
MW451.71 g/mol
LogP3.01
Rot. Bonds13

About 2-[2-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate

2-[2-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate (PubChem CID 153496123) has the molecular formula C22H37NO5Si2 and a molecular weight of 451.71 g/mol. Its IUPAC name is 2-[2-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate
PubChem CID153496123
Molecular FormulaC22H37NO5Si2
Molecular Weight451.71 g/mol
Exact Mass451.22
IUPAC Name2-[2-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OCCOCCC[Si](C)(C)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C22H37NO5Si2/c1-7-21(24)27-15-13-23-22(25)28-17-16-26-14-8-18-30(5,6)20-11-9-19(10-12-20)29(2,3)4/h7,9-12H,1,8,13-18H2,2-6H3,(H,23,25)
InChIKeyJYOIIJGZQUZIJW-UHFFFAOYSA-N
XLogP3.01
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.71
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[3-[[4-[dimethyl-[3-(2-prop-2-enoyloxyethylcarbamoyloxy)propyl]silyl]phenyl]-dimethylsilyl]propoxycarbonylamino]ethyl prop-2-enoate
CID 164848830
[2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 153496127
2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate
CID 162702779
2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate
CID 87915817
2-[3-[[dimethyl-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propyl]silyl]oxy-dimethylsilyl]propylcarbamoyloxy]ethyl prop-2-enoate
CID 140879603
2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl 2-methylpropanoate
CID 140648691
2-[2-(2-methylbutoxy)ethoxycarbonylamino]ethyl prop-2-enoate
CID 58252677
2-(octoxycarbonylamino)ethyl prop-2-enoate
CID 101151020
2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[2,4,6-trioxo-3,5-bis[6-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 102032461
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-(decylcarbamoyloxy)ethyl prop-2-enoate
CID 122555467
2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651423

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate?
The IUPAC name of 2-[2-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate (CID 153496123) is 2-[2-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)OCCOCCC[Si](C)(C)c1ccc([Si](C)(C)C)cc1.
What is the InChIKey of 2-[2-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate?
The InChIKey is JYOIIJGZQUZIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO5Si2/c1-7-21(24)27-15-13-23-22(25)28-17-16-26-14-8-18-30(5,6)20-11-9-19(10-12-20)29(2,3)4/h7,9-12H,1,8,13-18H2,2-6H3,(H,23,25).
What are the key properties of 2-[2-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate?
2-[2-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate has a molecular weight of 451.71 g/mol, XLogP of 3.01, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate is sourced from PubChem (CID 153496123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).