[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-dimethoxyphosphorylethyl] 2,2-diphenylacetate

C34H39O6PSi — CID 135067402

IUPAC[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-dimethoxyphosphorylethyl] 2,2-diphenylacetate
SMILESCOP(=O)(OC)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H39O6PSi/c1-34(2,3)42(29-22-14-8-15-23-29,30-24-16-9-17-25-30)39-26-31(41(36,37-4)38-5)40-33(35)32(27-18-10-6-11-19-27)28-20-12-7-13-21-28/h6-25,31-32H,26H2,1-5H3/t31-/m1/s1
InChIKeyVZOZRQBNCBKEOB-WJOKGBTCSA-N
MW602.74 g/mol
LogP6.75
Rot. Bonds12

About [(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-dimethoxyphosphorylethyl] 2,2-diphenylacetate

[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-dimethoxyphosphorylethyl] 2,2-diphenylacetate (PubChem CID 135067402) has the molecular formula C34H39O6PSi and a molecular weight of 602.74 g/mol. Its IUPAC name is [(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-dimethoxyphosphorylethyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-dimethoxyphosphorylethyl] 2,2-diphenylacetate
PubChem CID135067402
Molecular FormulaC34H39O6PSi
Molecular Weight602.74 g/mol
Exact Mass602.23
IUPAC Name[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-dimethoxyphosphorylethyl] 2,2-diphenylacetate
SMILESCOP(=O)(OC)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H39O6PSi/c1-34(2,3)42(29-22-14-8-15-23-29,30-24-16-9-17-25-30)39-26-31(41(36,37-4)38-5)40-33(35)32(27-18-10-6-11-19-27)28-20-12-7-13-21-28/h6-25,31-32H,26H2,1-5H3/t31-/m1/s1
InChIKeyVZOZRQBNCBKEOB-WJOKGBTCSA-N
XLogP6.75
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.74
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid
CID 168947861
4-[tert-butyl(diphenyl)silyl]oxy-2-dimethoxyphosphorylbutanoic acid
CID 71561246
methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
CID 53492893
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102238795
methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylpentanoate
CID 11553115
N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]benzamide
CID 11341192
(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863
3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid
CID 86196394
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-dimethoxyphosphorylethyl] 2,2-diphenylacetate?
The IUPAC name of [(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-dimethoxyphosphorylethyl] 2,2-diphenylacetate (CID 135067402) is [(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-dimethoxyphosphorylethyl] 2,2-diphenylacetate.
What is the SMILES notation for [(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-dimethoxyphosphorylethyl] 2,2-diphenylacetate?
The canonical SMILES for [(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-dimethoxyphosphorylethyl] 2,2-diphenylacetate is COP(=O)(OC)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-dimethoxyphosphorylethyl] 2,2-diphenylacetate?
The InChIKey is VZOZRQBNCBKEOB-WJOKGBTCSA-N. The full InChI is InChI=1S/C34H39O6PSi/c1-34(2,3)42(29-22-14-8-15-23-29,30-24-16-9-17-25-30)39-26-31(41(36,37-4)38-5)40-33(35)32(27-18-10-6-11-19-27)28-20-12-7-13-21-28/h6-25,31-32H,26H2,1-5H3/t31-/m1/s1.
What are the key properties of [(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-dimethoxyphosphorylethyl] 2,2-diphenylacetate?
[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-dimethoxyphosphorylethyl] 2,2-diphenylacetate has a molecular weight of 602.74 g/mol, XLogP of 6.75, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-dimethoxyphosphorylethyl] 2,2-diphenylacetate is sourced from PubChem (CID 135067402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).