2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate

C24H41NO5Si2 — CID 153496117

IUPAC2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OCCOCCC[Si](C)(C)c1ccc([Si](C)(C)CCC)cc1
InChIInChI=1S/C24H41NO5Si2/c1-7-19-31(3,4)21-10-12-22(13-11-21)32(5,6)20-9-15-28-17-18-30-24(27)25-14-16-29-23(26)8-2/h8,10-13H,2,7,9,14-20H2,1,3-6H3,(H,25,27)
InChIKeyAOHJXEIJMVVLIZ-UHFFFAOYSA-N
MW479.77 g/mol
LogP3.79
Rot. Bonds15

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

2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate (PubChem CID 153496117) has the molecular formula C24H41NO5Si2 and a molecular weight of 479.77 g/mol. Its IUPAC name is 2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate
PubChem CID153496117
Molecular FormulaC24H41NO5Si2
Molecular Weight479.77 g/mol
Exact Mass479.25
IUPAC Name2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OCCOCCC[Si](C)(C)c1ccc([Si](C)(C)CCC)cc1
InChIInChI=1S/C24H41NO5Si2/c1-7-19-31(3,4)21-10-12-22(13-11-21)32(5,6)20-9-15-28-17-18-30-24(27)25-14-16-29-23(26)8-2/h8,10-13H,2,7,9,14-20H2,1,3-6H3,(H,25,27)
InChIKeyAOHJXEIJMVVLIZ-UHFFFAOYSA-N
XLogP3.79
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.77
LogP ≤ 53.79
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate?
The IUPAC name of 2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate (CID 153496117) is 2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)OCCOCCC[Si](C)(C)c1ccc([Si](C)(C)CCC)cc1.
What is the InChIKey of 2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate?
The InChIKey is AOHJXEIJMVVLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO5Si2/c1-7-19-31(3,4)21-10-12-22(13-11-21)32(5,6)20-9-15-28-17-18-30-24(27)25-14-16-29-23(26)8-2/h8,10-13H,2,7,9,14-20H2,1,3-6H3,(H,25,27).
What are the key properties of 2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate?
2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate has a molecular weight of 479.77 g/mol, XLogP of 3.79, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propoxy]ethoxycarbonylamino]ethyl prop-2-enoate is sourced from PubChem (CID 153496117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).