ethenyl N-[3-[bis(triethylsilyloxy)methylsilyl]propyl]carbamate

C19H43NO4Si3 — CID 123687178

IUPACethenyl N-[3-[bis(triethylsilyloxy)methylsilyl]propyl]carbamate
SMILESC=COC(=O)NCCC[SiH2]C(O[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C19H43NO4Si3/c1-8-22-18(21)20-16-15-17-25-19(23-26(9-2,10-3)11-4)24-27(12-5,13-6)14-7/h8,19H,1,9-17,25H2,2-7H3,(H,20,21)
InChIKeyZVCIVCODWYIWFU-UHFFFAOYSA-N
MW433.81 g/mol
LogP5.16
Rot. Bonds16

About ethenyl N-[3-[bis(triethylsilyloxy)methylsilyl]propyl]carbamate

ethenyl N-[3-[bis(triethylsilyloxy)methylsilyl]propyl]carbamate (PubChem CID 123687178) has the molecular formula C19H43NO4Si3 and a molecular weight of 433.81 g/mol. Its IUPAC name is ethenyl N-[3-[bis(triethylsilyloxy)methylsilyl]propyl]carbamate.

Molecular Properties

Compound Nameethenyl N-[3-[bis(triethylsilyloxy)methylsilyl]propyl]carbamate
PubChem CID123687178
Molecular FormulaC19H43NO4Si3
Molecular Weight433.81 g/mol
Exact Mass433.25
IUPAC Nameethenyl N-[3-[bis(triethylsilyloxy)methylsilyl]propyl]carbamate
SMILESC=COC(=O)NCCC[SiH2]C(O[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C19H43NO4Si3/c1-8-22-18(21)20-16-15-17-25-19(23-26(9-2,10-3)11-4)24-27(12-5,13-6)14-7/h8,19H,1,9-17,25H2,2-7H3,(H,20,21)
InChIKeyZVCIVCODWYIWFU-UHFFFAOYSA-N
XLogP5.16
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.81
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl N-[3-[bis(triethylsilyloxy)methylsilyl]propyl]carbamate?
The IUPAC name of ethenyl N-[3-[bis(triethylsilyloxy)methylsilyl]propyl]carbamate (CID 123687178) is ethenyl N-[3-[bis(triethylsilyloxy)methylsilyl]propyl]carbamate.
What is the SMILES notation for ethenyl N-[3-[bis(triethylsilyloxy)methylsilyl]propyl]carbamate?
The canonical SMILES for ethenyl N-[3-[bis(triethylsilyloxy)methylsilyl]propyl]carbamate is C=COC(=O)NCCC[SiH2]C(O[Si](CC)(CC)CC)O[Si](CC)(CC)CC.
What is the InChIKey of ethenyl N-[3-[bis(triethylsilyloxy)methylsilyl]propyl]carbamate?
The InChIKey is ZVCIVCODWYIWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43NO4Si3/c1-8-22-18(21)20-16-15-17-25-19(23-26(9-2,10-3)11-4)24-27(12-5,13-6)14-7/h8,19H,1,9-17,25H2,2-7H3,(H,20,21).
What are the key properties of ethenyl N-[3-[bis(triethylsilyloxy)methylsilyl]propyl]carbamate?
ethenyl N-[3-[bis(triethylsilyloxy)methylsilyl]propyl]carbamate has a molecular weight of 433.81 g/mol, XLogP of 5.16, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-[3-[bis(triethylsilyloxy)methylsilyl]propyl]carbamate is sourced from PubChem (CID 123687178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).