(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal

C26H38O4Si — CID 101378992

IUPAC(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal
SMILESCC(C)O[C@H](C=O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(C)C
InChIInChI=1S/C26H38O4Si/c1-20(2)29-24(18-27)25(30-21(3)4)19-28-31(26(5,6)7,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-18,20-21,24-25H,19H2,1-7H3/t24-,25-/m1/s1
InChIKeyJFTOLEGFLXMPBO-JWQCQUIFSA-N
MW442.67 g/mol
LogP4.35
Rot. Bonds11

About (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal

(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal (PubChem CID 101378992) has the molecular formula C26H38O4Si and a molecular weight of 442.67 g/mol. Its IUPAC name is (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal.

Molecular Properties

Compound Name(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal
PubChem CID101378992
Molecular FormulaC26H38O4Si
Molecular Weight442.67 g/mol
Exact Mass442.25
IUPAC Name(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal
SMILESCC(C)O[C@H](C=O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(C)C
InChIInChI=1S/C26H38O4Si/c1-20(2)29-24(18-27)25(30-21(3)4)19-28-31(26(5,6)7,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-18,20-21,24-25H,19H2,1-7H3/t24-,25-/m1/s1
InChIKeyJFTOLEGFLXMPBO-JWQCQUIFSA-N
XLogP4.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.67
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal
CID 101084153
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropanal
CID 11131691
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal
CID 101456152
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile
CID 135070685
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal
CID 11574459
tert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane
CID 11749339
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-1-en-1-one
CID 87903767
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal?
The IUPAC name of (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal (CID 101378992) is (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal.
What is the SMILES notation for (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal?
The canonical SMILES for (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal is CC(C)O[C@H](C=O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(C)C.
What is the InChIKey of (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal?
The InChIKey is JFTOLEGFLXMPBO-JWQCQUIFSA-N. The full InChI is InChI=1S/C26H38O4Si/c1-20(2)29-24(18-27)25(30-21(3)4)19-28-31(26(5,6)7,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-18,20-21,24-25H,19H2,1-7H3/t24-,25-/m1/s1.
What are the key properties of (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal?
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal has a molecular weight of 442.67 g/mol, XLogP of 4.35, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal is sourced from PubChem (CID 101378992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).