(2S,3S,4R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhexanal

C20H44O3Si2 — CID 11003629

IUPAC(2S,3S,4R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhexanal
SMILESCC(C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O3Si2/c1-16(13-14-22-24(9,10)19(3,4)5)18(17(2)15-21)23-25(11,12)20(6,7)8/h15-18H,13-14H2,1-12H3/t16-,17?,18+/m1/s1
InChIKeyRIDVFIYBSJTDEM-BLAYRMRBSA-N
MW388.74 g/mol
LogP6.26
Rot. Bonds9

About (2S,3S,4R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhexanal

(2S,3S,4R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhexanal (PubChem CID 11003629) has the molecular formula C20H44O3Si2 and a molecular weight of 388.74 g/mol. Its IUPAC name is (2S,3S,4R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhexanal.

Molecular Properties

Compound Name(2S,3S,4R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhexanal
PubChem CID11003629
Molecular FormulaC20H44O3Si2
Molecular Weight388.74 g/mol
Exact Mass388.28
IUPAC Name(2S,3S,4R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhexanal
SMILESCC(C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O3Si2/c1-16(13-14-22-24(9,10)19(3,4)5)18(17(2)15-21)23-25(11,12)20(6,7)8/h15-18H,13-14H2,1-12H3/t16-,17?,18+/m1/s1
InChIKeyRIDVFIYBSJTDEM-BLAYRMRBSA-N
XLogP6.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.74
LogP ≤ 56.26
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,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal
CID 11821284
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-ynal
CID 11067797
(2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-triethylsilyloxyhexanal
CID 11750070
3-[Diethyl(3-trimethylsilylprop-1-ynyl)silyl]oxy-5-methylhexanal
CID 24805370
(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxyhexanal
CID 72701907
(2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 139263534
(3R, 4S)-4-methyl-3-((triethylsilyl)oxy)octanal
CID 145865206
(3S, 4S)-4-methyl-3-((triethylsilyl)oxy)octanal
CID 145865216
(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal
CID 13970161
(2S,3R,5R)-3,5-bis(tert-Butyldimethylsilyloxy)-2-methylhexanal
CID 53329187
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexanal
CID 90274712
(2S,3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexanal
CID 141630438

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhexanal?
The IUPAC name of (2S,3S,4R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhexanal (CID 11003629) is (2S,3S,4R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhexanal.
What is the SMILES notation for (2S,3S,4R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhexanal?
The canonical SMILES for (2S,3S,4R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhexanal is CC(C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S,4R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhexanal?
The InChIKey is RIDVFIYBSJTDEM-BLAYRMRBSA-N. The full InChI is InChI=1S/C20H44O3Si2/c1-16(13-14-22-24(9,10)19(3,4)5)18(17(2)15-21)23-25(11,12)20(6,7)8/h15-18H,13-14H2,1-12H3/t16-,17?,18+/m1/s1.
What are the key properties of (2S,3S,4R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhexanal?
(2S,3S,4R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhexanal has a molecular weight of 388.74 g/mol, XLogP of 6.26, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhexanal is sourced from PubChem (CID 11003629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).