(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-[(4S)-4-methyl-2-oxo-1,3-dioxolan-4-yl]-3-triethylsilyloxybutanal

C21H42O6Si2 — CID 135446155

IUPAC(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-[(4S)-4-methyl-2-oxo-1,3-dioxolan-4-yl]-3-triethylsilyloxybutanal
SMILESCC[Si](CC)(CC)O[C@H]([C@@H](C)C=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)COC(=O)O1
InChIInChI=1S/C21H42O6Si2/c1-11-29(12-2,13-3)26-17(16(4)14-22)18(21(8)15-24-19(23)25-21)27-28(9,10)20(5,6)7/h14,16-18H,11-13,15H2,1-10H3/t16-,17+,18-,21-/m0/s1
InChIKeyQMVAKXIBGWEWRD-NYUBLWNDSA-N
MW446.73 g/mol
LogP5.53
Rot. Bonds11

About (2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-[(4S)-4-methyl-2-oxo-1,3-dioxolan-4-yl]-3-triethylsilyloxybutanal

(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-[(4S)-4-methyl-2-oxo-1,3-dioxolan-4-yl]-3-triethylsilyloxybutanal (PubChem CID 135446155) has the molecular formula C21H42O6Si2 and a molecular weight of 446.73 g/mol. Its IUPAC name is (2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-[(4S)-4-methyl-2-oxo-1,3-dioxolan-4-yl]-3-triethylsilyloxybutanal.

Molecular Properties

Compound Name(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-[(4S)-4-methyl-2-oxo-1,3-dioxolan-4-yl]-3-triethylsilyloxybutanal
PubChem CID135446155
Molecular FormulaC21H42O6Si2
Molecular Weight446.73 g/mol
Exact Mass446.25
IUPAC Name(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-[(4S)-4-methyl-2-oxo-1,3-dioxolan-4-yl]-3-triethylsilyloxybutanal
SMILESCC[Si](CC)(CC)O[C@H]([C@@H](C)C=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)COC(=O)O1
InChIInChI=1S/C21H42O6Si2/c1-11-29(12-2,13-3)26-17(16(4)14-22)18(21(8)15-24-19(23)25-21)27-28(9,10)20(5,6)7/h14,16-18H,11-13,15H2,1-10H3/t16-,17+,18-,21-/m0/s1
InChIKeyQMVAKXIBGWEWRD-NYUBLWNDSA-N
XLogP5.53
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.73
LogP ≤ 55.53
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,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-[(4S)-4-methyl-2-oxo-1,3-dioxolan-4-yl]-3-triethylsilyloxybutanal with MolForge

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Related Compounds

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 11305043
2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde
CID 11348626
(2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-triethylsilyloxyhexanal
CID 11750070
(3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal
CID 175882115
(2R)-2-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
CID 10882107
(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-[(4S)-4-methyl-2-oxo-1,3-dioxolan-4-yl]-3-triethylsilyloxybutanal
CID 10972342
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
CID 12186438
(4S,5S)-4-methyl-5-[(2R)-3-oxo-2-tri(propan-2-yl)silyloxypropyl]-1,3-dioxolane-4-carbaldehyde
CID 101016777

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-[(4S)-4-methyl-2-oxo-1,3-dioxolan-4-yl]-3-triethylsilyloxybutanal?
The IUPAC name of (2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-[(4S)-4-methyl-2-oxo-1,3-dioxolan-4-yl]-3-triethylsilyloxybutanal (CID 135446155) is (2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-[(4S)-4-methyl-2-oxo-1,3-dioxolan-4-yl]-3-triethylsilyloxybutanal.
What is the SMILES notation for (2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-[(4S)-4-methyl-2-oxo-1,3-dioxolan-4-yl]-3-triethylsilyloxybutanal?
The canonical SMILES for (2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-[(4S)-4-methyl-2-oxo-1,3-dioxolan-4-yl]-3-triethylsilyloxybutanal is CC[Si](CC)(CC)O[C@H]([C@@H](C)C=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)COC(=O)O1.
What is the InChIKey of (2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-[(4S)-4-methyl-2-oxo-1,3-dioxolan-4-yl]-3-triethylsilyloxybutanal?
The InChIKey is QMVAKXIBGWEWRD-NYUBLWNDSA-N. The full InChI is InChI=1S/C21H42O6Si2/c1-11-29(12-2,13-3)26-17(16(4)14-22)18(21(8)15-24-19(23)25-21)27-28(9,10)20(5,6)7/h14,16-18H,11-13,15H2,1-10H3/t16-,17+,18-,21-/m0/s1.
What are the key properties of (2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-[(4S)-4-methyl-2-oxo-1,3-dioxolan-4-yl]-3-triethylsilyloxybutanal?
(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-[(4S)-4-methyl-2-oxo-1,3-dioxolan-4-yl]-3-triethylsilyloxybutanal has a molecular weight of 446.73 g/mol, XLogP of 5.53, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-[(4S)-4-methyl-2-oxo-1,3-dioxolan-4-yl]-3-triethylsilyloxybutanal is sourced from PubChem (CID 135446155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).