2-[tert-butyl(diphenyl)silyl]oxyethyl-methylcarbamic acid

C20H27NO3Si — CID 22242797

IUPAC2-[tert-butyl(diphenyl)silyl]oxyethyl-methylcarbamic acid
SMILESCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O
InChIInChI=1S/C20H27NO3Si/c1-20(2,3)25(17-11-7-5-8-12-17,18-13-9-6-10-14-18)24-16-15-21(4)19(22)23/h5-14H,15-16H2,1-4H3,(H,22,23)
InChIKeyBWMISULQEROVCI-UHFFFAOYSA-N
MW357.53 g/mol
LogP3.17
Rot. Bonds6

About 2-[tert-butyl(diphenyl)silyl]oxyethyl-methylcarbamic acid

2-[tert-butyl(diphenyl)silyl]oxyethyl-methylcarbamic acid (PubChem CID 22242797) has the molecular formula C20H27NO3Si and a molecular weight of 357.53 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxyethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxyethyl-methylcarbamic acid
PubChem CID22242797
Molecular FormulaC20H27NO3Si
Molecular Weight357.53 g/mol
Exact Mass357.18
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxyethyl-methylcarbamic acid
SMILESCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O
InChIInChI=1S/C20H27NO3Si/c1-20(2,3)25(17-11-7-5-8-12-17,18-13-9-6-10-14-18)24-16-15-21(4)19(22)23/h5-14H,15-16H2,1-4H3,(H,22,23)
InChIKeyBWMISULQEROVCI-UHFFFAOYSA-N
XLogP3.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethylamine, N,N-dimethyl-2-((methyldiphenylsilyl)oxy)-
CID 42541
Ethylamine,N,N-diethyl-2-(diphenylmethylsiloxy)-
CID 13066284
{2-[(2-Dimethylamino-ethoxy)-diphenyl-silanyloxy]-ethyl}-dimethyl-amine
CID 23278623
[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamic acid
CID 141522148
[3-[Tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamic acid
CID 153675504
[3-[Tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-fluorocarbamic acid
CID 173677873
[4-[Tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-methylcarbamic acid
CID 174056730
bis(N,N-diethylcarbamoyloxy)diphenylsilane
CID 138454603
2,2,2-trifluoroethyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
CID 11005148
2,2-difluoroethenyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
CID 11124492
methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate
CID 15483168
tert-butyl N-but-3-enyl-N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate
CID 11155866

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxyethyl-methylcarbamic acid?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxyethyl-methylcarbamic acid (CID 22242797) is 2-[tert-butyl(diphenyl)silyl]oxyethyl-methylcarbamic acid.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxyethyl-methylcarbamic acid?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxyethyl-methylcarbamic acid is CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxyethyl-methylcarbamic acid?
The InChIKey is BWMISULQEROVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3Si/c1-20(2,3)25(17-11-7-5-8-12-17,18-13-9-6-10-14-18)24-16-15-21(4)19(22)23/h5-14H,15-16H2,1-4H3,(H,22,23).
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxyethyl-methylcarbamic acid?
2-[tert-butyl(diphenyl)silyl]oxyethyl-methylcarbamic acid has a molecular weight of 357.53 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]oxyethyl-methylcarbamic acid is sourced from PubChem (CID 22242797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).