(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-diethoxybutanal

C20H44O5Si2 — CID 101263209

IUPAC(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-diethoxybutanal
SMILESCCOC(OCC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O5Si2/c1-13-22-18(23-14-2)17(25-27(11,12)20(6,7)8)16(15-21)24-26(9,10)19(3,4)5/h15-18H,13-14H2,1-12H3/t16-,17+/m0/s1
InChIKeyKPTKAVDNYHWFPZ-DLBZAZTESA-N
MW420.74 g/mol
LogP5.37
Rot. Bonds11

About (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-diethoxybutanal

(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-diethoxybutanal (PubChem CID 101263209) has the molecular formula C20H44O5Si2 and a molecular weight of 420.74 g/mol. Its IUPAC name is (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-diethoxybutanal.

Molecular Properties

Compound Name(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-diethoxybutanal
PubChem CID101263209
Molecular FormulaC20H44O5Si2
Molecular Weight420.74 g/mol
Exact Mass420.27
IUPAC Name(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-diethoxybutanal
SMILESCCOC(OCC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O5Si2/c1-13-22-18(23-14-2)17(25-27(11,12)20(6,7)8)16(15-21)24-26(9,10)19(3,4)5/h15-18H,13-14H2,1-12H3/t16-,17+/m0/s1
InChIKeyKPTKAVDNYHWFPZ-DLBZAZTESA-N
XLogP5.37
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.74
LogP ≤ 55.37
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-diethoxybutanal?
The IUPAC name of (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-diethoxybutanal (CID 101263209) is (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-diethoxybutanal.
What is the SMILES notation for (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-diethoxybutanal?
The canonical SMILES for (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-diethoxybutanal is CCOC(OCC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-diethoxybutanal?
The InChIKey is KPTKAVDNYHWFPZ-DLBZAZTESA-N. The full InChI is InChI=1S/C20H44O5Si2/c1-13-22-18(23-14-2)17(25-27(11,12)20(6,7)8)16(15-21)24-26(9,10)19(3,4)5/h15-18H,13-14H2,1-12H3/t16-,17+/m0/s1.
What are the key properties of (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-diethoxybutanal?
(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-diethoxybutanal has a molecular weight of 420.74 g/mol, XLogP of 5.37, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-diethoxybutanal is sourced from PubChem (CID 101263209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).