[5-[tert-butyl(diphenyl)silyl]oxy-2-phenylselanylpentyl] methyl carbonate

C29H36O4SeSi — CID 11800903

IUPAC[5-[tert-butyl(diphenyl)silyl]oxy-2-phenylselanylpentyl] methyl carbonate
SMILESCOC(=O)OCC(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[Se]c1ccccc1
InChIInChI=1S/C29H36O4SeSi/c1-29(2,3)35(26-18-10-6-11-19-26,27-20-12-7-13-21-27)33-22-14-17-25(23-32-28(30)31-4)34-24-15-8-5-9-16-24/h5-13,15-16,18-21,25H,14,17,22-23H2,1-4H3
InChIKeyNZCFJGFOWMIQNL-UHFFFAOYSA-N
MW555.65 g/mol
LogP4.94
Rot. Bonds11

About [5-[tert-butyl(diphenyl)silyl]oxy-2-phenylselanylpentyl] methyl carbonate

[5-[tert-butyl(diphenyl)silyl]oxy-2-phenylselanylpentyl] methyl carbonate (PubChem CID 11800903) has the molecular formula C29H36O4SeSi and a molecular weight of 555.65 g/mol. Its IUPAC name is [5-[tert-butyl(diphenyl)silyl]oxy-2-phenylselanylpentyl] methyl carbonate.

Molecular Properties

Compound Name[5-[tert-butyl(diphenyl)silyl]oxy-2-phenylselanylpentyl] methyl carbonate
PubChem CID11800903
Molecular FormulaC29H36O4SeSi
Molecular Weight555.65 g/mol
Exact Mass556.15
IUPAC Name[5-[tert-butyl(diphenyl)silyl]oxy-2-phenylselanylpentyl] methyl carbonate
SMILESCOC(=O)OCC(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[Se]c1ccccc1
InChIInChI=1S/C29H36O4SeSi/c1-29(2,3)35(26-18-10-6-11-19-26,27-20-12-7-13-21-27)33-22-14-17-25(23-32-28(30)31-4)34-24-15-8-5-9-16-24/h5-13,15-16,18-21,25H,14,17,22-23H2,1-4H3
InChIKeyNZCFJGFOWMIQNL-UHFFFAOYSA-N
XLogP4.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.65
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(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
methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
CID 53492893
methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate
CID 99772672
[(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane
CID 25117682
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538
tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane
CID 160977016
12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate
CID 10907379
8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]octan-2-one
CID 142754739
(Z)-3-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethylpentoxy]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium
CID 10907183

Frequently Asked Questions

What is the IUPAC name of [5-[tert-butyl(diphenyl)silyl]oxy-2-phenylselanylpentyl] methyl carbonate?
The IUPAC name of [5-[tert-butyl(diphenyl)silyl]oxy-2-phenylselanylpentyl] methyl carbonate (CID 11800903) is [5-[tert-butyl(diphenyl)silyl]oxy-2-phenylselanylpentyl] methyl carbonate.
What is the SMILES notation for [5-[tert-butyl(diphenyl)silyl]oxy-2-phenylselanylpentyl] methyl carbonate?
The canonical SMILES for [5-[tert-butyl(diphenyl)silyl]oxy-2-phenylselanylpentyl] methyl carbonate is COC(=O)OCC(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[Se]c1ccccc1.
What is the InChIKey of [5-[tert-butyl(diphenyl)silyl]oxy-2-phenylselanylpentyl] methyl carbonate?
The InChIKey is NZCFJGFOWMIQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36O4SeSi/c1-29(2,3)35(26-18-10-6-11-19-26,27-20-12-7-13-21-27)33-22-14-17-25(23-32-28(30)31-4)34-24-15-8-5-9-16-24/h5-13,15-16,18-21,25H,14,17,22-23H2,1-4H3.
What are the key properties of [5-[tert-butyl(diphenyl)silyl]oxy-2-phenylselanylpentyl] methyl carbonate?
[5-[tert-butyl(diphenyl)silyl]oxy-2-phenylselanylpentyl] methyl carbonate has a molecular weight of 555.65 g/mol, XLogP of 4.94, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[tert-butyl(diphenyl)silyl]oxy-2-phenylselanylpentyl] methyl carbonate is sourced from PubChem (CID 11800903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).