tert-butyl N-but-3-enyl-N-triphenylsilylcarbamate

C27H31NO2Si — CID 135050660

IUPACtert-butyl N-but-3-enyl-N-triphenylsilylcarbamate
SMILESC=CCCN(C(=O)OC(C)(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31NO2Si/c1-5-6-22-28(26(29)30-27(2,3)4)31(23-16-10-7-11-17-23,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h5,7-21H,1,6,22H2,2-4H3
InChIKeyFHTSUCMWZREMEG-UHFFFAOYSA-N
MW429.64 g/mol
LogP4.47
Rot. Bonds7

About tert-butyl N-but-3-enyl-N-triphenylsilylcarbamate

tert-butyl N-but-3-enyl-N-triphenylsilylcarbamate (PubChem CID 135050660) has the molecular formula C27H31NO2Si and a molecular weight of 429.64 g/mol. Its IUPAC name is tert-butyl N-but-3-enyl-N-triphenylsilylcarbamate.

Molecular Properties

Compound Nametert-butyl N-but-3-enyl-N-triphenylsilylcarbamate
PubChem CID135050660
Molecular FormulaC27H31NO2Si
Molecular Weight429.64 g/mol
Exact Mass429.21
IUPAC Nametert-butyl N-but-3-enyl-N-triphenylsilylcarbamate
SMILESC=CCCN(C(=O)OC(C)(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31NO2Si/c1-5-6-22-28(26(29)30-27(2,3)4)31(23-16-10-7-11-17-23,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h5,7-21H,1,6,22H2,2-4H3
InChIKeyFHTSUCMWZREMEG-UHFFFAOYSA-N
XLogP4.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.64
LogP ≤ 54.47
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 N-prop-2-enyl-N-triphenylsilylcarbamate
CID 11418592
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 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-benzyl-N-[methyl(diphenyl)silyl]carbamate
CID 135050615
tert-butyl (2S)-2-[hydroxy(diphenyl)silyl]pyrrolidine-1-carboxylate
CID 139146164
Tert-butyl 4-[dimethyl(phenyl)silyl]piperidine-1-carboxylate
CID 162401375

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-but-3-enyl-N-triphenylsilylcarbamate?
The IUPAC name of tert-butyl N-but-3-enyl-N-triphenylsilylcarbamate (CID 135050660) is tert-butyl N-but-3-enyl-N-triphenylsilylcarbamate.
What is the SMILES notation for tert-butyl N-but-3-enyl-N-triphenylsilylcarbamate?
The canonical SMILES for tert-butyl N-but-3-enyl-N-triphenylsilylcarbamate is C=CCCN(C(=O)OC(C)(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-but-3-enyl-N-triphenylsilylcarbamate?
The InChIKey is FHTSUCMWZREMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO2Si/c1-5-6-22-28(26(29)30-27(2,3)4)31(23-16-10-7-11-17-23,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h5,7-21H,1,6,22H2,2-4H3.
What are the key properties of tert-butyl N-but-3-enyl-N-triphenylsilylcarbamate?
tert-butyl N-but-3-enyl-N-triphenylsilylcarbamate has a molecular weight of 429.64 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-but-3-enyl-N-triphenylsilylcarbamate is sourced from PubChem (CID 135050660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).