tert-butyl N-[(1S)-1-[methyl(diphenyl)silyl]prop-2-enyl]carbamate

C21H27NO2Si — CID 101251333

IUPACtert-butyl N-[(1S)-1-[methyl(diphenyl)silyl]prop-2-enyl]carbamate
SMILESC=C[C@@H](NC(=O)OC(C)(C)C)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2Si/c1-6-19(22-20(23)24-21(2,3)4)25(5,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h6-16,19H,1H2,2-5H3,(H,22,23)/t19-/m0/s1
InChIKeyUDSNEAFCMFWZIW-IBGZPJMESA-N
MW353.54 g/mol
LogP3.50
Rot. Bonds5

About tert-butyl N-[(1S)-1-[methyl(diphenyl)silyl]prop-2-enyl]carbamate

tert-butyl N-[(1S)-1-[methyl(diphenyl)silyl]prop-2-enyl]carbamate (PubChem CID 101251333) has the molecular formula C21H27NO2Si and a molecular weight of 353.54 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[methyl(diphenyl)silyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[methyl(diphenyl)silyl]prop-2-enyl]carbamate
PubChem CID101251333
Molecular FormulaC21H27NO2Si
Molecular Weight353.54 g/mol
Exact Mass353.18
IUPAC Nametert-butyl N-[(1S)-1-[methyl(diphenyl)silyl]prop-2-enyl]carbamate
SMILESC=C[C@@H](NC(=O)OC(C)(C)C)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2Si/c1-6-19(22-20(23)24-21(2,3)4)25(5,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h6-16,19H,1H2,2-5H3,(H,22,23)/t19-/m0/s1
InChIKeyUDSNEAFCMFWZIW-IBGZPJMESA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.54
LogP ≤ 53.50
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'}

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Related Compounds

tert-butyl N-[[dimethyl(phenyl)silyl]-phenylmethyl]carbamate
CID 102314408
(S,E)-tert-Butyl 8-(tert-butyldiphenylsilyloxy)-2-methyloct-5-en-4-ylcarbamate
CID 58345823
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
(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 3-(tert-butyldiphenylsilyloxy)-1,1,1-trifluoropropan-2-ylcarbamate
CID 68294202
tert-butyl N-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate
CID 140870521
tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethylidene)butyl]carbamate
CID 153556066
tert-butyl N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-fluorobutan-2-yl]carbamate
CID 172759932
tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate
CID 175247666
(E,2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid
CID 10741724

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[methyl(diphenyl)silyl]prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[methyl(diphenyl)silyl]prop-2-enyl]carbamate (CID 101251333) is tert-butyl N-[(1S)-1-[methyl(diphenyl)silyl]prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[methyl(diphenyl)silyl]prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[methyl(diphenyl)silyl]prop-2-enyl]carbamate is C=C[C@@H](NC(=O)OC(C)(C)C)[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1S)-1-[methyl(diphenyl)silyl]prop-2-enyl]carbamate?
The InChIKey is UDSNEAFCMFWZIW-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27NO2Si/c1-6-19(22-20(23)24-21(2,3)4)25(5,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h6-16,19H,1H2,2-5H3,(H,22,23)/t19-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[methyl(diphenyl)silyl]prop-2-enyl]carbamate?
tert-butyl N-[(1S)-1-[methyl(diphenyl)silyl]prop-2-enyl]carbamate has a molecular weight of 353.54 g/mol, XLogP of 3.50, 5 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-[methyl(diphenyl)silyl]prop-2-enyl]carbamate is sourced from PubChem (CID 101251333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).