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

C30H43NO4Si4 — CID 66818519

IUPACN-[3-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide
SMILESC=CC(=O)NCCC[Si](O[Si](C)(C)c1ccccc1)(O[Si](C)(C)c1ccccc1)O[Si](C)(C)c1ccccc1
InChIInChI=1S/C30H43NO4Si4/c1-8-30(32)31-25-18-26-39(33-36(2,3)27-19-12-9-13-20-27,34-37(4,5)28-21-14-10-15-22-28)35-38(6,7)29-23-16-11-17-24-29/h8-17,19-24H,1,18,25-26H2,2-7H3,(H,31,32)
InChIKeyOTLYKCODSWVZEN-UHFFFAOYSA-N
MW594.02 g/mol
LogP5.00
Rot. Bonds14

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

N-[3-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide (PubChem CID 66818519) has the molecular formula C30H43NO4Si4 and a molecular weight of 594.02 g/mol. Its IUPAC name is N-[3-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide
PubChem CID66818519
Molecular FormulaC30H43NO4Si4
Molecular Weight594.02 g/mol
Exact Mass593.23
IUPAC NameN-[3-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide
SMILESC=CC(=O)NCCC[Si](O[Si](C)(C)c1ccccc1)(O[Si](C)(C)c1ccccc1)O[Si](C)(C)c1ccccc1
InChIInChI=1S/C30H43NO4Si4/c1-8-30(32)31-25-18-26-39(33-36(2,3)27-19-12-9-13-20-27,34-37(4,5)28-21-14-10-15-22-28)35-38(6,7)29-23-16-11-17-24-29/h8-17,19-24H,1,18,25-26H2,2-7H3,(H,31,32)
InChIKeyOTLYKCODSWVZEN-UHFFFAOYSA-N
XLogP5.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.02
LogP ≤ 55.00
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 N-[3-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide?
The IUPAC name of N-[3-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide (CID 66818519) is N-[3-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide.
What is the SMILES notation for N-[3-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide?
The canonical SMILES for N-[3-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide is C=CC(=O)NCCC[Si](O[Si](C)(C)c1ccccc1)(O[Si](C)(C)c1ccccc1)O[Si](C)(C)c1ccccc1.
What is the InChIKey of N-[3-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide?
The InChIKey is OTLYKCODSWVZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43NO4Si4/c1-8-30(32)31-25-18-26-39(33-36(2,3)27-19-12-9-13-20-27,34-37(4,5)28-21-14-10-15-22-28)35-38(6,7)29-23-16-11-17-24-29/h8-17,19-24H,1,18,25-26H2,2-7H3,(H,31,32).
What are the key properties of N-[3-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide?
N-[3-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide has a molecular weight of 594.02 g/mol, XLogP of 5.00, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide is sourced from PubChem (CID 66818519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).