tert-butyl N-[(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylpent-4-en-2-yl]carbamate

C23H39NO3Si — CID 134952663

IUPACtert-butyl N-[(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylpent-4-en-2-yl]carbamate
SMILESC/C(=C\c1ccccc1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H39NO3Si/c1-17(16-19-14-12-11-13-15-19)20(27-28(9,10)23(6,7)8)18(2)24-21(25)26-22(3,4)5/h11-16,18,20H,1-10H3,(H,24,25)/b17-16+/t18-,20-/m1/s1
InChIKeyROYFZTQRQCYFLL-DPBVHHOFSA-N
MW405.66 g/mol
LogP6.39
Rot. Bonds6

About tert-butyl N-[(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylpent-4-en-2-yl]carbamate

tert-butyl N-[(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylpent-4-en-2-yl]carbamate (PubChem CID 134952663) has the molecular formula C23H39NO3Si and a molecular weight of 405.66 g/mol. Its IUPAC name is tert-butyl N-[(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylpent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylpent-4-en-2-yl]carbamate
PubChem CID134952663
Molecular FormulaC23H39NO3Si
Molecular Weight405.66 g/mol
Exact Mass405.27
IUPAC Nametert-butyl N-[(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylpent-4-en-2-yl]carbamate
SMILESC/C(=C\c1ccccc1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H39NO3Si/c1-17(16-19-14-12-11-13-15-19)20(27-28(9,10)23(6,7)8)18(2)24-21(25)26-22(3,4)5/h11-16,18,20H,1-10H3,(H,24,25)/b17-16+/t18-,20-/m1/s1
InChIKeyROYFZTQRQCYFLL-DPBVHHOFSA-N
XLogP6.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.66
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(E)-2-hydroxy-4-phenylbut-3-enyl]carbamate
CID 9838134
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(fluoromethyl)pentan-2-yl]carbamate
CID 12111289
tert-butyl N-[(E,1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)but-2-enyl]carbamate
CID 134954247
2-trimethylsilylethyl N-(2-phenylethyl)carbamate
CID 10825605
tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-phenylpropan-2-yl]carbamate
CID 58420082
tert-butyl N-[(E,3S)-1-phenylhex-1-en-3-yl]carbamate
CID 67560334
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
benzyl N-[2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate
CID 401740
tert-butyl N-[(Z)-6-[dimethyl(2-methylpentan-2-yl)silyl]oxy-3-fluoro-1-phenylhex-3-en-2-yl]carbamate
CID 21651775
tert-butyl N-[6-[dimethyl(2-methylpentan-2-yl)silyl]oxy-3-fluoro-1-phenylhex-3-en-2-yl]carbamate
CID 53943980
tert-butyl N-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-fluoro-1-phenylbutan-2-yl]carbamate
CID 67270664
(R)-tert-butyl 3,4-bis(tert-butyldimethylsilyloxy)-1-fluoro-1-phenylbutan-2-ylcarbamate
CID 67270665

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylpent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylpent-4-en-2-yl]carbamate (CID 134952663) is tert-butyl N-[(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylpent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylpent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylpent-4-en-2-yl]carbamate is C/C(=C\c1ccccc1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylpent-4-en-2-yl]carbamate?
The InChIKey is ROYFZTQRQCYFLL-DPBVHHOFSA-N. The full InChI is InChI=1S/C23H39NO3Si/c1-17(16-19-14-12-11-13-15-19)20(27-28(9,10)23(6,7)8)18(2)24-21(25)26-22(3,4)5/h11-16,18,20H,1-10H3,(H,24,25)/b17-16+/t18-,20-/m1/s1.
What are the key properties of tert-butyl N-[(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylpent-4-en-2-yl]carbamate?
tert-butyl N-[(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylpent-4-en-2-yl]carbamate has a molecular weight of 405.66 g/mol, XLogP of 6.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylpent-4-en-2-yl]carbamate is sourced from PubChem (CID 134952663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).