2-methyl-N-[3-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl]prop-2-enamide

C22H57NO4Si7 — CID 19812130

IUPAC2-methyl-N-[3-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCC[Si](O[Si](C)(C)[Si](C)(C)C)(O[Si](C)(C)[Si](C)(C)C)O[Si](C)(C)[Si](C)(C)C
InChIInChI=1S/C22H57NO4Si7/c1-21(2)22(24)23-19-18-20-34(25-31(12,13)28(3,4)5,26-32(14,15)29(6,7)8)27-33(16,17)30(9,10)11/h1,18-20H2,2-17H3,(H,23,24)
InChIKeyLVKRMOHEILWMQL-UHFFFAOYSA-N
MW596.30 g/mol
LogP6.92
Rot. Bonds14

About 2-methyl-N-[3-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl]prop-2-enamide

2-methyl-N-[3-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl]prop-2-enamide (PubChem CID 19812130) has the molecular formula C22H57NO4Si7 and a molecular weight of 596.30 g/mol. Its IUPAC name is 2-methyl-N-[3-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[3-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl]prop-2-enamide
PubChem CID19812130
Molecular FormulaC22H57NO4Si7
Molecular Weight596.30 g/mol
Exact Mass595.27
IUPAC Name2-methyl-N-[3-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCC[Si](O[Si](C)(C)[Si](C)(C)C)(O[Si](C)(C)[Si](C)(C)C)O[Si](C)(C)[Si](C)(C)C
InChIInChI=1S/C22H57NO4Si7/c1-21(2)22(24)23-19-18-20-34(25-31(12,13)28(3,4)5,26-32(14,15)29(6,7)8)27-33(16,17)30(9,10)11/h1,18-20H2,2-17H3,(H,23,24)
InChIKeyLVKRMOHEILWMQL-UHFFFAOYSA-N
XLogP6.92
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.30
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-N-[3-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[3-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl]prop-2-enamide (CID 19812130) is 2-methyl-N-[3-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[3-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[3-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl]prop-2-enamide is C=C(C)C(=O)NCCC[Si](O[Si](C)(C)[Si](C)(C)C)(O[Si](C)(C)[Si](C)(C)C)O[Si](C)(C)[Si](C)(C)C.
What is the InChIKey of 2-methyl-N-[3-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl]prop-2-enamide?
The InChIKey is LVKRMOHEILWMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H57NO4Si7/c1-21(2)22(24)23-19-18-20-34(25-31(12,13)28(3,4)5,26-32(14,15)29(6,7)8)27-33(16,17)30(9,10)11/h1,18-20H2,2-17H3,(H,23,24).
What are the key properties of 2-methyl-N-[3-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl]prop-2-enamide?
2-methyl-N-[3-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl]prop-2-enamide has a molecular weight of 596.30 g/mol, XLogP of 6.92, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl]prop-2-enamide is sourced from PubChem (CID 19812130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).