N-[1-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide

C30H43NO4Si4 — CID 67061647

IUPACN-[1-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide
SMILESC=CC(=O)NC(CC)[Si](O[Si](C)(C)c1ccccc1)(O[Si](C)(C)c1ccccc1)O[Si](C)(C)c1ccccc1
InChIInChI=1S/C30H43NO4Si4/c1-9-29(32)31-30(10-2)39(33-36(3,4)26-20-14-11-15-21-26,34-37(5,6)27-22-16-12-17-23-27)35-38(7,8)28-24-18-13-19-25-28/h9,11-25,30H,1,10H2,2-8H3,(H,31,32)
InChIKeySGBGBHZYLXDGNU-UHFFFAOYSA-N
MW594.02 g/mol
LogP4.93
Rot. Bonds13

About N-[1-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide

N-[1-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide (PubChem CID 67061647) has the molecular formula C30H43NO4Si4 and a molecular weight of 594.02 g/mol. Its IUPAC name is N-[1-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide
PubChem CID67061647
Molecular FormulaC30H43NO4Si4
Molecular Weight594.02 g/mol
Exact Mass593.23
IUPAC NameN-[1-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide
SMILESC=CC(=O)NC(CC)[Si](O[Si](C)(C)c1ccccc1)(O[Si](C)(C)c1ccccc1)O[Si](C)(C)c1ccccc1
InChIInChI=1S/C30H43NO4Si4/c1-9-29(32)31-30(10-2)39(33-36(3,4)26-20-14-11-15-21-26,34-37(5,6)27-22-16-12-17-23-27)35-38(7,8)28-24-18-13-19-25-28/h9,11-25,30H,1,10H2,2-8H3,(H,31,32)
InChIKeySGBGBHZYLXDGNU-UHFFFAOYSA-N
XLogP4.93
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.02
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 N-[1-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide?
The IUPAC name of N-[1-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide (CID 67061647) is N-[1-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide.
What is the SMILES notation for N-[1-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide?
The canonical SMILES for N-[1-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide is C=CC(=O)NC(CC)[Si](O[Si](C)(C)c1ccccc1)(O[Si](C)(C)c1ccccc1)O[Si](C)(C)c1ccccc1.
What is the InChIKey of N-[1-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide?
The InChIKey is SGBGBHZYLXDGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43NO4Si4/c1-9-29(32)31-30(10-2)39(33-36(3,4)26-20-14-11-15-21-26,34-37(5,6)27-22-16-12-17-23-27)35-38(7,8)28-24-18-13-19-25-28/h9,11-25,30H,1,10H2,2-8H3,(H,31,32).
What are the key properties of N-[1-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide?
N-[1-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide has a molecular weight of 594.02 g/mol, XLogP of 4.93, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide is sourced from PubChem (CID 67061647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).