(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

C21H44O5Si2 — CID 11305043

IUPAC(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
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O5Si2/c1-15(25-27(10,11)19(2,3)4)17-18(24-21(8,9)23-17)16(14-22)26-28(12,13)20(5,6)7/h14-18H,1-13H3/t15-,16-,17-,18-/m0/s1
InChIKeyCNKBKMKBHQYYSA-XSLAGTTESA-N
MW432.75 g/mol
LogP5.51
Rot. Bonds7

About (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

(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 (PubChem CID 11305043) has the molecular formula C21H44O5Si2 and a molecular weight of 432.75 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID11305043
Molecular FormulaC21H44O5Si2
Molecular Weight432.75 g/mol
Exact Mass432.27
IUPAC Name(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
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O5Si2/c1-15(25-27(10,11)19(2,3)4)17-18(24-21(8,9)23-17)16(14-22)26-28(12,13)20(5,6)7/h14-18H,1-13H3/t15-,16-,17-,18-/m0/s1
InChIKeyCNKBKMKBHQYYSA-XSLAGTTESA-N
XLogP5.51
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.75
LogP ≤ 55.51
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

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
CID 11162038
2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde
CID 11348626
(2R,3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(methoxymethoxy)hexanal
CID 11611502
3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
CID 15271273
methyl (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 102587266
1-[(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 134839849
(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolane-4-carbaldehyde
CID 134887006
(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde
CID 134931202
(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde
CID 134931206
2-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 146166570
2,2-Dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)-propyl]-[1,3]dioxolane-4-carboxaldehyde
CID 552050
2-Furanacetaldehyde, tetrahydro-alpha,3,4,5-tetrakis[(trimethylsilyl)oxy]-
CID 553416

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1[C@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (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?
The InChIKey is CNKBKMKBHQYYSA-XSLAGTTESA-N. The full InChI is InChI=1S/C21H44O5Si2/c1-15(25-27(10,11)19(2,3)4)17-18(24-21(8,9)23-17)16(14-22)26-28(12,13)20(5,6)7/h14-18H,1-13H3/t15-,16-,17-,18-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 432.75 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 11305043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).