tert-butyl N-[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-oxopent-4-en-2-yl]carbamate

C26H35NO4Si — CID 134840212

IUPACtert-butyl N-[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-oxopent-4-en-2-yl]carbamate
SMILESC=C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C26H35NO4Si/c1-8-23(22(19-28)27-24(29)30-25(2,3)4)31-32(26(5,6)7,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h8-19,22-23H,1H2,2-7H3,(H,27,29)/t22-,23-/m0/s1
InChIKeyOSHOZZUXWDBTDV-GOTSBHOMSA-N
MW453.66 g/mol
LogP4.21
Rot. Bonds8

About tert-butyl N-[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-oxopent-4-en-2-yl]carbamate

tert-butyl N-[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-oxopent-4-en-2-yl]carbamate (PubChem CID 134840212) has the molecular formula C26H35NO4Si and a molecular weight of 453.66 g/mol. Its IUPAC name is tert-butyl N-[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-oxopent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-oxopent-4-en-2-yl]carbamate
PubChem CID134840212
Molecular FormulaC26H35NO4Si
Molecular Weight453.66 g/mol
Exact Mass453.23
IUPAC Nametert-butyl N-[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-oxopent-4-en-2-yl]carbamate
SMILESC=C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C26H35NO4Si/c1-8-23(22(19-28)27-24(29)30-25(2,3)4)31-32(26(5,6)7,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h8-19,22-23H,1H2,2-7H3,(H,27,29)/t22-,23-/m0/s1
InChIKeyOSHOZZUXWDBTDV-GOTSBHOMSA-N
XLogP4.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.66
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypent-4-en-2-yl]carbamate
CID 44220524
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 59316108
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-iodobutan-2-yl]carbamate
CID 69359165
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
(2S,3R)-2-tert-Butoxycarbonylamino-3-(tert-butyl-diphenyl-silanyloxy)-butyric acid
CID 86709669
Boc-xiThr(TBDPS)-OTBDPS
CID 375645
(2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 10527141
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-oxopropan-2-yl]carbamate
CID 10812418
tert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]carbamate
CID 10940678
tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
CID 11618502
tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-diazo-3-oxobutan-2-yl]carbamate
CID 101153818
tert-butyl N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-diphenylphosphanylbutan-2-yl]carbamate
CID 101777677

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-oxopent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-oxopent-4-en-2-yl]carbamate (CID 134840212) is tert-butyl N-[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-oxopent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-oxopent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-oxopent-4-en-2-yl]carbamate is C=C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-oxopent-4-en-2-yl]carbamate?
The InChIKey is OSHOZZUXWDBTDV-GOTSBHOMSA-N. The full InChI is InChI=1S/C26H35NO4Si/c1-8-23(22(19-28)27-24(29)30-25(2,3)4)31-32(26(5,6)7,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h8-19,22-23H,1H2,2-7H3,(H,27,29)/t22-,23-/m0/s1.
What are the key properties of tert-butyl N-[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-oxopent-4-en-2-yl]carbamate?
tert-butyl N-[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-oxopent-4-en-2-yl]carbamate has a molecular weight of 453.66 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-oxopent-4-en-2-yl]carbamate is sourced from PubChem (CID 134840212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).