bis[tert-butyl(diphenyl)silyl] 2-hydroxybutanedioate

C36H42O5Si2 — CID 139812746

IUPACbis[tert-butyl(diphenyl)silyl] 2-hydroxybutanedioate
SMILESCC(C)(C)[Si](OC(=O)CC(O)C(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H42O5Si2/c1-35(2,3)42(28-19-11-7-12-20-28,29-21-13-8-14-22-29)40-33(38)27-32(37)34(39)41-43(36(4,5)6,30-23-15-9-16-24-30)31-25-17-10-18-26-31/h7-26,32,37H,27H2,1-6H3
InChIKeyMIHAYWQRYZJZDI-UHFFFAOYSA-N
MW610.90 g/mol
LogP4.94
Rot. Bonds9

About bis[tert-butyl(diphenyl)silyl] 2-hydroxybutanedioate

bis[tert-butyl(diphenyl)silyl] 2-hydroxybutanedioate (PubChem CID 139812746) has the molecular formula C36H42O5Si2 and a molecular weight of 610.90 g/mol. Its IUPAC name is bis[tert-butyl(diphenyl)silyl] 2-hydroxybutanedioate.

Molecular Properties

Compound Namebis[tert-butyl(diphenyl)silyl] 2-hydroxybutanedioate
PubChem CID139812746
Molecular FormulaC36H42O5Si2
Molecular Weight610.90 g/mol
Exact Mass610.26
IUPAC Namebis[tert-butyl(diphenyl)silyl] 2-hydroxybutanedioate
SMILESCC(C)(C)[Si](OC(=O)CC(O)C(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H42O5Si2/c1-35(2,3)42(28-19-11-7-12-20-28,29-21-13-8-14-22-29)40-33(38)27-32(37)34(39)41-43(36(4,5)6,30-23-15-9-16-24-30)31-25-17-10-18-26-31/h7-26,32,37H,27H2,1-6H3
InChIKeyMIHAYWQRYZJZDI-UHFFFAOYSA-N
XLogP4.94
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.90
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[tert-butyl(diphenyl)silyl] butanoate
CID 91802630
[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
[tert-butyl(diphenyl)silyl] pent-4-ynoate
CID 101226817
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate;sulfane
CID 161259126
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylpentanoate
CID 11553115
(Z)-4-[tert-butyl(diphenyl)silyl]oxy-4-oxobut-2-enoic acid
CID 162310940
prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 11079127
dibenzyl (2S)-2-[(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxo-4-phenylmethoxybutanoyl]oxybutanedioate
CID 10509327
methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate
CID 11303215

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(diphenyl)silyl] 2-hydroxybutanedioate?
The IUPAC name of bis[tert-butyl(diphenyl)silyl] 2-hydroxybutanedioate (CID 139812746) is bis[tert-butyl(diphenyl)silyl] 2-hydroxybutanedioate.
What is the SMILES notation for bis[tert-butyl(diphenyl)silyl] 2-hydroxybutanedioate?
The canonical SMILES for bis[tert-butyl(diphenyl)silyl] 2-hydroxybutanedioate is CC(C)(C)[Si](OC(=O)CC(O)C(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis[tert-butyl(diphenyl)silyl] 2-hydroxybutanedioate?
The InChIKey is MIHAYWQRYZJZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42O5Si2/c1-35(2,3)42(28-19-11-7-12-20-28,29-21-13-8-14-22-29)40-33(38)27-32(37)34(39)41-43(36(4,5)6,30-23-15-9-16-24-30)31-25-17-10-18-26-31/h7-26,32,37H,27H2,1-6H3.
What are the key properties of bis[tert-butyl(diphenyl)silyl] 2-hydroxybutanedioate?
bis[tert-butyl(diphenyl)silyl] 2-hydroxybutanedioate has a molecular weight of 610.90 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(diphenyl)silyl] 2-hydroxybutanedioate is sourced from PubChem (CID 139812746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).