(2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,4R,6R)-4,6-dimethoxyoxan-2-yl]acetaldehyde

C25H34O5Si — CID 70677506

IUPAC(2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,4R,6R)-4,6-dimethoxyoxan-2-yl]acetaldehyde
SMILESCO[C@H]1C[C@H](OC)O[C@@H]([C@@H](C=O)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C25H34O5Si/c1-25(2,3)31(20-12-8-6-9-13-20,21-14-10-7-11-15-21)30-23(18-26)22-16-19(27-4)17-24(28-5)29-22/h6-15,18-19,22-24H,16-17H2,1-5H3/t19-,22-,23-,24-/m1/s1
InChIKeyCZMXEFCYGONFLO-OTUUDDROSA-N
MW442.63 g/mol
LogP3.30
Rot. Bonds8

About (2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,4R,6R)-4,6-dimethoxyoxan-2-yl]acetaldehyde

(2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,4R,6R)-4,6-dimethoxyoxan-2-yl]acetaldehyde (PubChem CID 70677506) has the molecular formula C25H34O5Si and a molecular weight of 442.63 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,4R,6R)-4,6-dimethoxyoxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,4R,6R)-4,6-dimethoxyoxan-2-yl]acetaldehyde
PubChem CID70677506
Molecular FormulaC25H34O5Si
Molecular Weight442.63 g/mol
Exact Mass442.22
IUPAC Name(2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,4R,6R)-4,6-dimethoxyoxan-2-yl]acetaldehyde
SMILESCO[C@H]1C[C@H](OC)O[C@@H]([C@@H](C=O)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C25H34O5Si/c1-25(2,3)31(20-12-8-6-9-13-20,21-14-10-7-11-15-21)30-23(18-26)22-16-19(27-4)17-24(28-5)29-22/h6-15,18-19,22-24H,16-17H2,1-5H3/t19-,22-,23-,24-/m1/s1
InChIKeyCZMXEFCYGONFLO-OTUUDDROSA-N
XLogP3.30
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.63
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(2R,4R,6S)-4-methoxy-6-phenylsulfanyloxan-2-yl]-2-methylbut-2-enoate
CID 15953223
(2R,4R,6R)-6-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxyethyl]-4-methoxyoxan-2-ol
CID 171124063
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4S,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-oxoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 11072519
(2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol
CID 177394561
(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3-carbonitrile
CID 70226546
(2R)-2-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]-2-methoxyacetaldehyde
CID 164787145
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
methyl (2S)-2-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyacetate
CID 46899489
(5S)-5-[(1R)-2-bromo-1-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-2-one
CID 100999050
[(2S,4R)-4-(benzenesulfonyl)-6-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 10973391
[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] benzoate
CID 59157894
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,4R,6R)-4,6-dimethoxyoxan-2-yl]acetaldehyde?
The IUPAC name of (2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,4R,6R)-4,6-dimethoxyoxan-2-yl]acetaldehyde (CID 70677506) is (2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,4R,6R)-4,6-dimethoxyoxan-2-yl]acetaldehyde.
What is the SMILES notation for (2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,4R,6R)-4,6-dimethoxyoxan-2-yl]acetaldehyde?
The canonical SMILES for (2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,4R,6R)-4,6-dimethoxyoxan-2-yl]acetaldehyde is CO[C@H]1C[C@H](OC)O[C@@H]([C@@H](C=O)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of (2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,4R,6R)-4,6-dimethoxyoxan-2-yl]acetaldehyde?
The InChIKey is CZMXEFCYGONFLO-OTUUDDROSA-N. The full InChI is InChI=1S/C25H34O5Si/c1-25(2,3)31(20-12-8-6-9-13-20,21-14-10-7-11-15-21)30-23(18-26)22-16-19(27-4)17-24(28-5)29-22/h6-15,18-19,22-24H,16-17H2,1-5H3/t19-,22-,23-,24-/m1/s1.
What are the key properties of (2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,4R,6R)-4,6-dimethoxyoxan-2-yl]acetaldehyde?
(2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,4R,6R)-4,6-dimethoxyoxan-2-yl]acetaldehyde has a molecular weight of 442.63 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,4R,6R)-4,6-dimethoxyoxan-2-yl]acetaldehyde is sourced from PubChem (CID 70677506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).