methyl (E)-4-(4-diethoxysilylidenebutylamino)-4-oxobut-2-enoate

C13H23NO5Si — CID 23541103

IUPACmethyl (E)-4-(4-diethoxysilylidenebutylamino)-4-oxobut-2-enoate
SMILESCCO[Si](=CCCCNC(=O)/C=C/C(=O)OC)OCC
InChIInChI=1S/C13H23NO5Si/c1-4-18-20(19-5-2)11-7-6-10-14-12(15)8-9-13(16)17-3/h8-9,11H,4-7,10H2,1-3H3,(H,14,15)/b9-8+
InChIKeyUBCKHZLUQQHWHS-CMDGGOBGSA-N
MW301.42 g/mol
LogP0.56
Rot. Bonds10

About methyl (E)-4-(4-diethoxysilylidenebutylamino)-4-oxobut-2-enoate

methyl (E)-4-(4-diethoxysilylidenebutylamino)-4-oxobut-2-enoate (PubChem CID 23541103) has the molecular formula C13H23NO5Si and a molecular weight of 301.42 g/mol. Its IUPAC name is methyl (E)-4-(4-diethoxysilylidenebutylamino)-4-oxobut-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-(4-diethoxysilylidenebutylamino)-4-oxobut-2-enoate
PubChem CID23541103
Molecular FormulaC13H23NO5Si
Molecular Weight301.42 g/mol
Exact Mass301.13
IUPAC Namemethyl (E)-4-(4-diethoxysilylidenebutylamino)-4-oxobut-2-enoate
SMILESCCO[Si](=CCCCNC(=O)/C=C/C(=O)OC)OCC
InChIInChI=1S/C13H23NO5Si/c1-4-18-20(19-5-2)11-7-6-10-14-12(15)8-9-13(16)17-3/h8-9,11H,4-7,10H2,1-3H3,(H,14,15)/b9-8+
InChIKeyUBCKHZLUQQHWHS-CMDGGOBGSA-N
XLogP0.56
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.56
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 methyl (E)-4-(4-diethoxysilylidenebutylamino)-4-oxobut-2-enoate?
The IUPAC name of methyl (E)-4-(4-diethoxysilylidenebutylamino)-4-oxobut-2-enoate (CID 23541103) is methyl (E)-4-(4-diethoxysilylidenebutylamino)-4-oxobut-2-enoate.
What is the SMILES notation for methyl (E)-4-(4-diethoxysilylidenebutylamino)-4-oxobut-2-enoate?
The canonical SMILES for methyl (E)-4-(4-diethoxysilylidenebutylamino)-4-oxobut-2-enoate is CCO[Si](=CCCCNC(=O)/C=C/C(=O)OC)OCC.
What is the InChIKey of methyl (E)-4-(4-diethoxysilylidenebutylamino)-4-oxobut-2-enoate?
The InChIKey is UBCKHZLUQQHWHS-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H23NO5Si/c1-4-18-20(19-5-2)11-7-6-10-14-12(15)8-9-13(16)17-3/h8-9,11H,4-7,10H2,1-3H3,(H,14,15)/b9-8+.
What are the key properties of methyl (E)-4-(4-diethoxysilylidenebutylamino)-4-oxobut-2-enoate?
methyl (E)-4-(4-diethoxysilylidenebutylamino)-4-oxobut-2-enoate has a molecular weight of 301.42 g/mol, XLogP of 0.56, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-(4-diethoxysilylidenebutylamino)-4-oxobut-2-enoate is sourced from PubChem (CID 23541103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).