trimethylsilyl N-[3-[butan-2-yloxy(dimethyl)silyl]propyl]-N-phenylcarbamate

C19H35NO3Si2 — CID 140591241

IUPACtrimethylsilyl N-[3-[butan-2-yloxy(dimethyl)silyl]propyl]-N-phenylcarbamate
SMILESCCC(C)O[Si](C)(C)CCCN(C(=O)O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C19H35NO3Si2/c1-8-17(2)22-25(6,7)16-12-15-20(18-13-10-9-11-14-18)19(21)23-24(3,4)5/h9-11,13-14,17H,8,12,15-16H2,1-7H3
InChIKeyXGLWPQVIFAOFAY-UHFFFAOYSA-N
MW381.67 g/mol
LogP5.87
Rot. Bonds9

About trimethylsilyl N-[3-[butan-2-yloxy(dimethyl)silyl]propyl]-N-phenylcarbamate

trimethylsilyl N-[3-[butan-2-yloxy(dimethyl)silyl]propyl]-N-phenylcarbamate (PubChem CID 140591241) has the molecular formula C19H35NO3Si2 and a molecular weight of 381.67 g/mol. Its IUPAC name is trimethylsilyl N-[3-[butan-2-yloxy(dimethyl)silyl]propyl]-N-phenylcarbamate.

Molecular Properties

Compound Nametrimethylsilyl N-[3-[butan-2-yloxy(dimethyl)silyl]propyl]-N-phenylcarbamate
PubChem CID140591241
Molecular FormulaC19H35NO3Si2
Molecular Weight381.67 g/mol
Exact Mass381.22
IUPAC Nametrimethylsilyl N-[3-[butan-2-yloxy(dimethyl)silyl]propyl]-N-phenylcarbamate
SMILESCCC(C)O[Si](C)(C)CCCN(C(=O)O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C19H35NO3Si2/c1-8-17(2)22-25(6,7)16-12-15-20(18-13-10-9-11-14-18)19(21)23-24(3,4)5/h9-11,13-14,17H,8,12,15-16H2,1-7H3
InChIKeyXGLWPQVIFAOFAY-UHFFFAOYSA-N
XLogP5.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.67
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl N-[3-[butan-2-yloxy(dimethyl)silyl]propyl]-N-phenylcarbamate?
The IUPAC name of trimethylsilyl N-[3-[butan-2-yloxy(dimethyl)silyl]propyl]-N-phenylcarbamate (CID 140591241) is trimethylsilyl N-[3-[butan-2-yloxy(dimethyl)silyl]propyl]-N-phenylcarbamate.
What is the SMILES notation for trimethylsilyl N-[3-[butan-2-yloxy(dimethyl)silyl]propyl]-N-phenylcarbamate?
The canonical SMILES for trimethylsilyl N-[3-[butan-2-yloxy(dimethyl)silyl]propyl]-N-phenylcarbamate is CCC(C)O[Si](C)(C)CCCN(C(=O)O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of trimethylsilyl N-[3-[butan-2-yloxy(dimethyl)silyl]propyl]-N-phenylcarbamate?
The InChIKey is XGLWPQVIFAOFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO3Si2/c1-8-17(2)22-25(6,7)16-12-15-20(18-13-10-9-11-14-18)19(21)23-24(3,4)5/h9-11,13-14,17H,8,12,15-16H2,1-7H3.
What are the key properties of trimethylsilyl N-[3-[butan-2-yloxy(dimethyl)silyl]propyl]-N-phenylcarbamate?
trimethylsilyl N-[3-[butan-2-yloxy(dimethyl)silyl]propyl]-N-phenylcarbamate has a molecular weight of 381.67 g/mol, XLogP of 5.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl N-[3-[butan-2-yloxy(dimethyl)silyl]propyl]-N-phenylcarbamate is sourced from PubChem (CID 140591241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).