(2R,3S,4S,5R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,5-tris(phenylmethoxy)hexanedial

C43H46O6Si — CID 102478524

IUPAC(2R,3S,4S,5R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,5-tris(phenylmethoxy)hexanedial
SMILESCC(C)(C)[Si](O[C@@H](C=O)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](C=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H46O6Si/c1-43(2,3)50(37-25-15-7-16-26-37,38-27-17-8-18-28-38)49-40(30-45)42(48-33-36-23-13-6-14-24-36)41(47-32-35-21-11-5-12-22-35)39(29-44)46-31-34-19-9-4-10-20-34/h4-30,39-42H,31-33H2,1-3H3/t39-,40-,41+,42+/m0/s1
InChIKeyIVXKWRGGNXUQFK-ATUXXYJQSA-N
MW686.92 g/mol
LogP7.09
Rot. Bonds18

About (2R,3S,4S,5R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,5-tris(phenylmethoxy)hexanedial

(2R,3S,4S,5R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,5-tris(phenylmethoxy)hexanedial (PubChem CID 102478524) has the molecular formula C43H46O6Si and a molecular weight of 686.92 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,5-tris(phenylmethoxy)hexanedial.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,5-tris(phenylmethoxy)hexanedial
PubChem CID102478524
Molecular FormulaC43H46O6Si
Molecular Weight686.92 g/mol
Exact Mass686.31
IUPAC Name(2R,3S,4S,5R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,5-tris(phenylmethoxy)hexanedial
SMILESCC(C)(C)[Si](O[C@@H](C=O)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](C=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H46O6Si/c1-43(2,3)50(37-25-15-7-16-26-37,38-27-17-8-18-28-38)49-40(30-45)42(48-33-36-23-13-6-14-24-36)41(47-32-35-21-11-5-12-22-35)39(29-44)46-31-34-19-9-4-10-20-34/h4-30,39-42H,31-33H2,1-3H3/t39-,40-,41+,42+/m0/s1
InChIKeyIVXKWRGGNXUQFK-ATUXXYJQSA-N
XLogP7.09
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.92
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3S,4S,5R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,5-tris(phenylmethoxy)hexanedial with MolForge

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Related Compounds

(2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal
CID 14394625
(2S,3R,4R,5S)-5-hydroxy-2,3,4-tris(phenylmethoxy)hexanal
CID 18610492
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal
CID 101456152
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal
CID 11983684
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal
CID 11201317
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal
CID 102255365
(2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal
CID 54316923
(2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 11814226
2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 14131714
(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hexadecoxy-3-phenylmethoxyhex-5-enal
CID 101388981
(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
CID 10937503
(2S,4S)-2-methyl-4-phenylmethoxypentanal
CID 10632107

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,5-tris(phenylmethoxy)hexanedial?
The IUPAC name of (2R,3S,4S,5R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,5-tris(phenylmethoxy)hexanedial (CID 102478524) is (2R,3S,4S,5R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,5-tris(phenylmethoxy)hexanedial.
What is the SMILES notation for (2R,3S,4S,5R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,5-tris(phenylmethoxy)hexanedial?
The canonical SMILES for (2R,3S,4S,5R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,5-tris(phenylmethoxy)hexanedial is CC(C)(C)[Si](O[C@@H](C=O)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](C=O)OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3S,4S,5R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,5-tris(phenylmethoxy)hexanedial?
The InChIKey is IVXKWRGGNXUQFK-ATUXXYJQSA-N. The full InChI is InChI=1S/C43H46O6Si/c1-43(2,3)50(37-25-15-7-16-26-37,38-27-17-8-18-28-38)49-40(30-45)42(48-33-36-23-13-6-14-24-36)41(47-32-35-21-11-5-12-22-35)39(29-44)46-31-34-19-9-4-10-20-34/h4-30,39-42H,31-33H2,1-3H3/t39-,40-,41+,42+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,5-tris(phenylmethoxy)hexanedial?
(2R,3S,4S,5R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,5-tris(phenylmethoxy)hexanedial has a molecular weight of 686.92 g/mol, XLogP of 7.09, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,5-tris(phenylmethoxy)hexanedial is sourced from PubChem (CID 102478524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).