2-methyl-N-prop-2-enyl-N-[3-tris(trimethylsilyloxy)silylpropyl]prop-2-enamide

C19H43NO4Si4 — CID 11081056

IUPAC2-methyl-N-prop-2-enyl-N-[3-tris(trimethylsilyloxy)silylpropyl]prop-2-enamide
SMILESC=CCN(CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)C(=C)C
InChIInChI=1S/C19H43NO4Si4/c1-13-15-20(19(21)18(2)3)16-14-17-28(22-25(4,5)6,23-26(7,8)9)24-27(10,11)12/h13H,1-2,14-17H2,3-12H3
InChIKeyMEYLCAFBSAPCDB-UHFFFAOYSA-N
MW461.90 g/mol
LogP5.46
Rot. Bonds13

About 2-methyl-N-prop-2-enyl-N-[3-tris(trimethylsilyloxy)silylpropyl]prop-2-enamide

2-methyl-N-prop-2-enyl-N-[3-tris(trimethylsilyloxy)silylpropyl]prop-2-enamide (PubChem CID 11081056) has the molecular formula C19H43NO4Si4 and a molecular weight of 461.90 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enyl-N-[3-tris(trimethylsilyloxy)silylpropyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-prop-2-enyl-N-[3-tris(trimethylsilyloxy)silylpropyl]prop-2-enamide
PubChem CID11081056
Molecular FormulaC19H43NO4Si4
Molecular Weight461.90 g/mol
Exact Mass461.23
IUPAC Name2-methyl-N-prop-2-enyl-N-[3-tris(trimethylsilyloxy)silylpropyl]prop-2-enamide
SMILESC=CCN(CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)C(=C)C
InChIInChI=1S/C19H43NO4Si4/c1-13-15-20(19(21)18(2)3)16-14-17-28(22-25(4,5)6,23-26(7,8)9)24-27(10,11)12/h13H,1-2,14-17H2,3-12H3
InChIKeyMEYLCAFBSAPCDB-UHFFFAOYSA-N
XLogP5.46
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.90
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-prop-2-enyl-N-[3-tris(trimethylsilyloxy)silylpropyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-prop-2-enyl-N-[3-tris(trimethylsilyloxy)silylpropyl]prop-2-enamide (CID 11081056) is 2-methyl-N-prop-2-enyl-N-[3-tris(trimethylsilyloxy)silylpropyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-prop-2-enyl-N-[3-tris(trimethylsilyloxy)silylpropyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-prop-2-enyl-N-[3-tris(trimethylsilyloxy)silylpropyl]prop-2-enamide is C=CCN(CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-prop-2-enyl-N-[3-tris(trimethylsilyloxy)silylpropyl]prop-2-enamide?
The InChIKey is MEYLCAFBSAPCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43NO4Si4/c1-13-15-20(19(21)18(2)3)16-14-17-28(22-25(4,5)6,23-26(7,8)9)24-27(10,11)12/h13H,1-2,14-17H2,3-12H3.
What are the key properties of 2-methyl-N-prop-2-enyl-N-[3-tris(trimethylsilyloxy)silylpropyl]prop-2-enamide?
2-methyl-N-prop-2-enyl-N-[3-tris(trimethylsilyloxy)silylpropyl]prop-2-enamide has a molecular weight of 461.90 g/mol, XLogP of 5.46, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enyl-N-[3-tris(trimethylsilyloxy)silylpropyl]prop-2-enamide is sourced from PubChem (CID 11081056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).