[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate

C22H28O4Si — CID 102238795

IUPAC[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate
SMILESC=C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)OC
InChIInChI=1S/C22H28O4Si/c1-6-18(26-21(23)24-5)17-25-27(22(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h6-16,18H,1,17H2,2-5H3/t18-/m0/s1
InChIKeyCHUPLTGHBIRGCY-SFHVURJKSA-N
MW384.55 g/mol
LogP3.90
Rot. Bonds7

About [(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate

[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate (PubChem CID 102238795) has the molecular formula C22H28O4Si and a molecular weight of 384.55 g/mol. Its IUPAC name is [(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate.

Molecular Properties

Compound Name[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate
PubChem CID102238795
Molecular FormulaC22H28O4Si
Molecular Weight384.55 g/mol
Exact Mass384.18
IUPAC Name[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate
SMILESC=C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)OC
InChIInChI=1S/C22H28O4Si/c1-6-18(26-21(23)24-5)17-25-27(22(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h6-16,18H,1,17H2,2-5H3/t18-/m0/s1
InChIKeyCHUPLTGHBIRGCY-SFHVURJKSA-N
XLogP3.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
methyl (2E,4R)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-methylhexa-2,5-dienoate
CID 10694232
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropanal
CID 11131691
[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102073389
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
methyl (2R)-2-[(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpropyl]-2-methylpent-4-enoate
CID 11396886
2-methoxycarbonyloxybut-3-enyl benzoate
CID 102200830
methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-oxohept-6-enoate
CID 171567875
dimethyl 2-[1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-yl]propanedioate
CID 135072238

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate?
The IUPAC name of [(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate (CID 102238795) is [(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate.
What is the SMILES notation for [(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate?
The canonical SMILES for [(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate is C=C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)OC.
What is the InChIKey of [(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate?
The InChIKey is CHUPLTGHBIRGCY-SFHVURJKSA-N. The full InChI is InChI=1S/C22H28O4Si/c1-6-18(26-21(23)24-5)17-25-27(22(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h6-16,18H,1,17H2,2-5H3/t18-/m0/s1.
What are the key properties of [(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate?
[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate has a molecular weight of 384.55 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate is sourced from PubChem (CID 102238795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).