tert-butyl N-prop-2-enyl-N-triphenylsilylcarbamate

C26H29NO2Si — CID 11418592

IUPACtert-butyl N-prop-2-enyl-N-triphenylsilylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NO2Si/c1-5-21-27(25(28)29-26(2,3)4)30(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h5-20H,1,21H2,2-4H3
InChIKeyZQATUIBNDGTCLD-UHFFFAOYSA-N
MW415.61 g/mol
LogP4.08
Rot. Bonds6

About tert-butyl N-prop-2-enyl-N-triphenylsilylcarbamate

tert-butyl N-prop-2-enyl-N-triphenylsilylcarbamate (PubChem CID 11418592) has the molecular formula C26H29NO2Si and a molecular weight of 415.61 g/mol. Its IUPAC name is tert-butyl N-prop-2-enyl-N-triphenylsilylcarbamate.

Molecular Properties

Compound Nametert-butyl N-prop-2-enyl-N-triphenylsilylcarbamate
PubChem CID11418592
Molecular FormulaC26H29NO2Si
Molecular Weight415.61 g/mol
Exact Mass415.20
IUPAC Nametert-butyl N-prop-2-enyl-N-triphenylsilylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NO2Si/c1-5-21-27(25(28)29-26(2,3)4)30(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h5-20H,1,21H2,2-4H3
InChIKeyZQATUIBNDGTCLD-UHFFFAOYSA-N
XLogP4.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.61
LogP ≤ 54.08
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1S)-1-triphenylsilylprop-2-enyl]carbamate
CID 11373383
Tert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate
CID 75153095
tert-butyl N-[methyl(diphenyl)silyl]-N-prop-2-enylcarbamate
CID 101251332
tert-butyl N-[(1S)-1-[methyl(diphenyl)silyl]prop-2-enyl]carbamate
CID 101251333
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-benzyl-N-[methyl(diphenyl)silyl]carbamate
CID 135050615
tert-butyl N-but-3-enyl-N-triphenylsilylcarbamate
CID 135050660
[2-(Tert-butyl-diphenyl-silanyloxy)-ethyl]-methyl-carbamic acid tert-butyl ester
CID 123833100
3-Triphenylsilyl-1,3-oxazolidin-2-one
CID 139900681
CID 153532910
CID 153532910

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-prop-2-enyl-N-triphenylsilylcarbamate?
The IUPAC name of tert-butyl N-prop-2-enyl-N-triphenylsilylcarbamate (CID 11418592) is tert-butyl N-prop-2-enyl-N-triphenylsilylcarbamate.
What is the SMILES notation for tert-butyl N-prop-2-enyl-N-triphenylsilylcarbamate?
The canonical SMILES for tert-butyl N-prop-2-enyl-N-triphenylsilylcarbamate is C=CCN(C(=O)OC(C)(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-prop-2-enyl-N-triphenylsilylcarbamate?
The InChIKey is ZQATUIBNDGTCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2Si/c1-5-21-27(25(28)29-26(2,3)4)30(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h5-20H,1,21H2,2-4H3.
What are the key properties of tert-butyl N-prop-2-enyl-N-triphenylsilylcarbamate?
tert-butyl N-prop-2-enyl-N-triphenylsilylcarbamate has a molecular weight of 415.61 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-prop-2-enyl-N-triphenylsilylcarbamate is sourced from PubChem (CID 11418592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).