3-tris(trimethylsilyloxy)silylpropyl N-phenylcarbamate

C19H39NO5Si4 — CID 70115266

IUPAC3-tris(trimethylsilyloxy)silylpropyl N-phenylcarbamate
SMILESC[Si](C)(C)O[Si](CCCOC(=O)Nc1ccccc1)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H39NO5Si4/c1-26(2,3)23-29(24-27(4,5)6,25-28(7,8)9)17-13-16-22-19(21)20-18-14-11-10-12-15-18/h10-12,14-15H,13,16-17H2,1-9H3,(H,20,21)
InChIKeyNHHHTYBESTYTII-UHFFFAOYSA-N
MW473.87 g/mol
LogP6.12
Rot. Bonds11

About 3-tris(trimethylsilyloxy)silylpropyl N-phenylcarbamate

3-tris(trimethylsilyloxy)silylpropyl N-phenylcarbamate (PubChem CID 70115266) has the molecular formula C19H39NO5Si4 and a molecular weight of 473.87 g/mol. Its IUPAC name is 3-tris(trimethylsilyloxy)silylpropyl N-phenylcarbamate.

Molecular Properties

Compound Name3-tris(trimethylsilyloxy)silylpropyl N-phenylcarbamate
PubChem CID70115266
Molecular FormulaC19H39NO5Si4
Molecular Weight473.87 g/mol
Exact Mass473.19
IUPAC Name3-tris(trimethylsilyloxy)silylpropyl N-phenylcarbamate
SMILESC[Si](C)(C)O[Si](CCCOC(=O)Nc1ccccc1)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H39NO5Si4/c1-26(2,3)23-29(24-27(4,5)6,25-28(7,8)9)17-13-16-22-19(21)20-18-14-11-10-12-15-18/h10-12,14-15H,13,16-17H2,1-9H3,(H,20,21)
InChIKeyNHHHTYBESTYTII-UHFFFAOYSA-N
XLogP6.12
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.87
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dodecyl N-phenylcarbamate
CID 521818
3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate
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CID 157392925
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
methyl 13-(phenylcarbamoyloxy)tridecanoate
CID 4152739
[(E)-16-(phenylcarbamoyloxy)hexadec-8-enyl] N-phenylcarbamate
CID 134983552
2-ethoxyethyl N-phenylcarbamate
CID 4101389
3-methylbutyl N-phenylcarbamate
CID 69480810
8-(phenylcarbamoyloxy)octa-3,5-diynyl N-phenylcarbamate
CID 15528686
undecyl N-(4-phenyldiazenylphenyl)carbamate
CID 523158
butane;phenylcarbamoyloxymethyl N-phenylcarbamate
CID 20571621
1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate
CID 54485160

Frequently Asked Questions

What is the IUPAC name of 3-tris(trimethylsilyloxy)silylpropyl N-phenylcarbamate?
The IUPAC name of 3-tris(trimethylsilyloxy)silylpropyl N-phenylcarbamate (CID 70115266) is 3-tris(trimethylsilyloxy)silylpropyl N-phenylcarbamate.
What is the SMILES notation for 3-tris(trimethylsilyloxy)silylpropyl N-phenylcarbamate?
The canonical SMILES for 3-tris(trimethylsilyloxy)silylpropyl N-phenylcarbamate is C[Si](C)(C)O[Si](CCCOC(=O)Nc1ccccc1)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 3-tris(trimethylsilyloxy)silylpropyl N-phenylcarbamate?
The InChIKey is NHHHTYBESTYTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO5Si4/c1-26(2,3)23-29(24-27(4,5)6,25-28(7,8)9)17-13-16-22-19(21)20-18-14-11-10-12-15-18/h10-12,14-15H,13,16-17H2,1-9H3,(H,20,21).
What are the key properties of 3-tris(trimethylsilyloxy)silylpropyl N-phenylcarbamate?
3-tris(trimethylsilyloxy)silylpropyl N-phenylcarbamate has a molecular weight of 473.87 g/mol, XLogP of 6.12, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tris(trimethylsilyloxy)silylpropyl N-phenylcarbamate is sourced from PubChem (CID 70115266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).