3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate

C16H27NO3Si — CID 177244740

IUPAC3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate
SMILESCC(C)(C)[Si](C)(C)OCCCOC(=O)Nc1ccccc1
InChIInChI=1S/C16H27NO3Si/c1-16(2,3)21(4,5)20-13-9-12-19-15(18)17-14-10-7-6-8-11-14/h6-8,10-11H,9,12-13H2,1-5H3,(H,17,18)
InChIKeyHDCSFXCNWUKYMY-UHFFFAOYSA-N
MW309.48 g/mol
LogP4.65
Rot. Bonds6

About 3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate

3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate (PubChem CID 177244740) has the molecular formula C16H27NO3Si and a molecular weight of 309.48 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate
PubChem CID177244740
Molecular FormulaC16H27NO3Si
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate
SMILESCC(C)(C)[Si](C)(C)OCCCOC(=O)Nc1ccccc1
InChIInChI=1S/C16H27NO3Si/c1-16(2,3)21(4,5)20-13-9-12-19-15(18)17-14-10-7-6-8-11-14/h6-8,10-11H,9,12-13H2,1-5H3,(H,17,18)
InChIKeyHDCSFXCNWUKYMY-UHFFFAOYSA-N
XLogP4.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-tris(trimethylsilyloxy)silylpropyl N-phenylcarbamate
CID 70115266
dodecyl N-phenylcarbamate
CID 521818
benzene;5-carbamoyloxypentyl N-phenylcarbamate
CID 157392925
4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate
CID 11688619
(4S,5S)-4-anilino-9-[tert-butyl(dimethyl)silyl]oxy-2,2,5-trimethylnonan-3-one
CID 172564229
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
7-[tert-butyl(dimethyl)silyl]oxy-1-phenylhept-1-yn-3-one
CID 46848785
2-ethoxyethyl N-phenylcarbamate
CID 4101389
3-methylbutyl N-phenylcarbamate
CID 69480810
1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-phenylethyl)urea
CID 155933037

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate (CID 177244740) is 3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate is CC(C)(C)[Si](C)(C)OCCCOC(=O)Nc1ccccc1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate?
The InChIKey is HDCSFXCNWUKYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3Si/c1-16(2,3)21(4,5)20-13-9-12-19-15(18)17-14-10-7-6-8-11-14/h6-8,10-11H,9,12-13H2,1-5H3,(H,17,18).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate?
3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate has a molecular weight of 309.48 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate is sourced from PubChem (CID 177244740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).