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

C17H38O3Si2 — CID 11131794

IUPAC(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-triethylsilyloxybutanal
SMILESCC[Si](CC)(CC)OC[C@H](C)[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-10-22(11-2,12-3)19-14-15(4)16(13-18)20-21(8,9)17(5,6)7/h13,15-16H,10-12,14H2,1-9H3/t15-,16-/m0/s1
InChIKeyPBSILYWSCKMFOR-HOTGVXAUSA-N
MW346.66 g/mol
LogP5.23
Rot. Bonds10

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

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-triethylsilyloxybutanal (PubChem CID 11131794) has the molecular formula C17H38O3Si2 and a molecular weight of 346.66 g/mol. Its IUPAC name is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-triethylsilyloxybutanal.

Molecular Properties

Compound Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-triethylsilyloxybutanal
PubChem CID11131794
Molecular FormulaC17H38O3Si2
Molecular Weight346.66 g/mol
Exact Mass346.24
IUPAC Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-triethylsilyloxybutanal
SMILESCC[Si](CC)(CC)OC[C@H](C)[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-10-22(11-2,12-3)19-14-15(4)16(13-18)20-21(8,9)17(5,6)7/h13,15-16H,10-12,14H2,1-9H3/t15-,16-/m0/s1
InChIKeyPBSILYWSCKMFOR-HOTGVXAUSA-N
XLogP5.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.66
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal
CID 10910964
(2S)-3-methyl-2-tri(propan-2-yl)silyloxybutanal
CID 11737026
(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal
CID 71761915
(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanedial
CID 154707128
2-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-3-methylbutanal
CID 14486745
(4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinane-4-carbaldehyde
CID 11402683
(2R,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylbutanal
CID 11462135
(2S,3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylbutanal
CID 11810153
(2S,3S)-2-methyl-3,4-bis[tri(propan-2-yl)silyloxy]butanal
CID 15431301
(2R)-2-methyl-2,4-bis(triethylsilyloxy)butanal
CID 16727030
(2R)-3-Methyl-2-{[tri(propan-2-yl)silyl]oxy}butanal
CID 71367502
(2R,3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylbutanal
CID 71747565

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-triethylsilyloxybutanal?
The IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-triethylsilyloxybutanal (CID 11131794) is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-triethylsilyloxybutanal.
What is the SMILES notation for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-triethylsilyloxybutanal?
The canonical SMILES for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-triethylsilyloxybutanal is CC[Si](CC)(CC)OC[C@H](C)[C@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-triethylsilyloxybutanal?
The InChIKey is PBSILYWSCKMFOR-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H38O3Si2/c1-10-22(11-2,12-3)19-14-15(4)16(13-18)20-21(8,9)17(5,6)7/h13,15-16H,10-12,14H2,1-9H3/t15-,16-/m0/s1.
What are the key properties of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-triethylsilyloxybutanal?
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-triethylsilyloxybutanal has a molecular weight of 346.66 g/mol, XLogP of 5.23, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-triethylsilyloxybutanal is sourced from PubChem (CID 11131794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).