tert-butyl N-[methyl(diphenyl)silyl]-N-prop-2-enylcarbamate

C21H27NO2Si — CID 101251332

IUPACtert-butyl N-[methyl(diphenyl)silyl]-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2Si/c1-6-17-22(20(23)24-21(2,3)4)25(5,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h6-16H,1,17H2,2-5H3
InChIKeyDCBRJERVFQBTRP-UHFFFAOYSA-N
MW353.54 g/mol
LogP3.80
Rot. Bonds5

About tert-butyl N-[methyl(diphenyl)silyl]-N-prop-2-enylcarbamate

tert-butyl N-[methyl(diphenyl)silyl]-N-prop-2-enylcarbamate (PubChem CID 101251332) has the molecular formula C21H27NO2Si and a molecular weight of 353.54 g/mol. Its IUPAC name is tert-butyl N-[methyl(diphenyl)silyl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[methyl(diphenyl)silyl]-N-prop-2-enylcarbamate
PubChem CID101251332
Molecular FormulaC21H27NO2Si
Molecular Weight353.54 g/mol
Exact Mass353.18
IUPAC Nametert-butyl N-[methyl(diphenyl)silyl]-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2Si/c1-6-17-22(20(23)24-21(2,3)4)25(5,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h6-16H,1,17H2,2-5H3
InChIKeyDCBRJERVFQBTRP-UHFFFAOYSA-N
XLogP3.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.54
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(1S)-1-triphenylsilylprop-2-enyl]carbamate
CID 11373383
tert-butyl N-[4-[dimethyl(phenyl)silyl]buta-2,3-dienyl]carbamate
CID 11381145
tert-butyl N-prop-2-enyl-N-triphenylsilylcarbamate
CID 11418592
Tert-butyl 4-[2-[dimethyl(phenyl)silyl]hex-1-enylidene]piperidine-1-carboxylate
CID 44604030
Tert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate
CID 75153095
tert-butyl N-[(1S)-1-[methyl(diphenyl)silyl]prop-2-enyl]carbamate
CID 101251333
Tert-butyl 2-[2-methylbut-3-enyl(diphenyl)silyl]pyrrolidine-1-carboxylate
CID 101448053
tert-butyl N-[1-[methyl(diphenyl)silyl]but-3-enyl]carbamate
CID 134905367
tert-butyl N-(1-triphenylsilylbut-3-enyl)carbamate
CID 134905481
tert-butyl N-but-3-enyl-N-[methyl(diphenyl)silyl]carbamate
CID 135050531
tert-butyl N-but-3-enyl-N-triphenylsilylcarbamate
CID 135050660
tert-butyl (2S)-2-[hydroxy(diphenyl)silyl]pyrrolidine-1-carboxylate
CID 139146164

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[methyl(diphenyl)silyl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[methyl(diphenyl)silyl]-N-prop-2-enylcarbamate (CID 101251332) is tert-butyl N-[methyl(diphenyl)silyl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[methyl(diphenyl)silyl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[methyl(diphenyl)silyl]-N-prop-2-enylcarbamate is C=CCN(C(=O)OC(C)(C)C)[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[methyl(diphenyl)silyl]-N-prop-2-enylcarbamate?
The InChIKey is DCBRJERVFQBTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2Si/c1-6-17-22(20(23)24-21(2,3)4)25(5,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h6-16H,1,17H2,2-5H3.
What are the key properties of tert-butyl N-[methyl(diphenyl)silyl]-N-prop-2-enylcarbamate?
tert-butyl N-[methyl(diphenyl)silyl]-N-prop-2-enylcarbamate has a molecular weight of 353.54 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[methyl(diphenyl)silyl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 101251332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).