tert-butyl N-[(1S)-1-triphenylsilylprop-2-enyl]carbamate

C26H29NO2Si — CID 11373383

IUPACtert-butyl N-[(1S)-1-triphenylsilylprop-2-enyl]carbamate
SMILESC=C[C@@H](NC(=O)OC(C)(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NO2Si/c1-5-24(27-25(28)29-26(2,3)4)30(21-15-9-6-10-16-21,22-17-11-7-12-18-22)23-19-13-8-14-20-23/h5-20,24H,1H2,2-4H3,(H,27,28)/t24-/m0/s1
InChIKeyKNXFPPGYYMSZGW-DEOSSOPVSA-N
MW415.61 g/mol
LogP3.78
Rot. Bonds6

About tert-butyl N-[(1S)-1-triphenylsilylprop-2-enyl]carbamate

tert-butyl N-[(1S)-1-triphenylsilylprop-2-enyl]carbamate (PubChem CID 11373383) has the molecular formula C26H29NO2Si and a molecular weight of 415.61 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-triphenylsilylprop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-triphenylsilylprop-2-enyl]carbamate
PubChem CID11373383
Molecular FormulaC26H29NO2Si
Molecular Weight415.61 g/mol
Exact Mass415.20
IUPAC Nametert-butyl N-[(1S)-1-triphenylsilylprop-2-enyl]carbamate
SMILESC=C[C@@H](NC(=O)OC(C)(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NO2Si/c1-5-24(27-25(28)29-26(2,3)4)30(21-15-9-6-10-16-21,22-17-11-7-12-18-22)23-19-13-8-14-20-23/h5-20,24H,1H2,2-4H3,(H,27,28)/t24-/m0/s1
InChIKeyKNXFPPGYYMSZGW-DEOSSOPVSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.61
LogP ≤ 53.78
H-Bond Donors ≤ 51
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

(E)-N-t-Butoxycarbonyl-4-(tert-butyldiphenylsilanyloxy)-2-fluoro-2-butenylamine
CID 59029502
tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate
CID 66982746
tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate
CID 66982747
tert-butyl N-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate
CID 140870521
tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate
CID 175247666
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 N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
CID 11618502
tert-butyl N-[[methyl(diphenyl)silyl]-phenylmethyl]carbamate
CID 15313504
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-triphenylsilylpropanoate
CID 15391418
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-triphenylsilylprop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-triphenylsilylprop-2-enyl]carbamate (CID 11373383) is tert-butyl N-[(1S)-1-triphenylsilylprop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-triphenylsilylprop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-triphenylsilylprop-2-enyl]carbamate is C=C[C@@H](NC(=O)OC(C)(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1S)-1-triphenylsilylprop-2-enyl]carbamate?
The InChIKey is KNXFPPGYYMSZGW-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H29NO2Si/c1-5-24(27-25(28)29-26(2,3)4)30(21-15-9-6-10-16-21,22-17-11-7-12-18-22)23-19-13-8-14-20-23/h5-20,24H,1H2,2-4H3,(H,27,28)/t24-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-triphenylsilylprop-2-enyl]carbamate?
tert-butyl N-[(1S)-1-triphenylsilylprop-2-enyl]carbamate has a molecular weight of 415.61 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-triphenylsilylprop-2-enyl]carbamate is sourced from PubChem (CID 11373383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).