(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxyhexanal

C20H44O3Si2 — CID 72701907

IUPAC(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxyhexanal
SMILESCC[Si](CC)(CC)O[C@@H](C)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O
InChIInChI=1S/C20H44O3Si2/c1-12-25(13-2,14-3)22-18(6)17(5)19(16(4)15-21)23-24(10,11)20(7,8)9/h15-19H,12-14H2,1-11H3/t16-,17-,18-,19+/m0/s1
InChIKeyRFTKZKZNKLCJIZ-CADBVGFASA-N
MW388.74 g/mol
LogP6.26
Rot. Bonds11

About (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxyhexanal

(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxyhexanal (PubChem CID 72701907) has the molecular formula C20H44O3Si2 and a molecular weight of 388.74 g/mol. Its IUPAC name is (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxyhexanal.

Molecular Properties

Compound Name(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxyhexanal
PubChem CID72701907
Molecular FormulaC20H44O3Si2
Molecular Weight388.74 g/mol
Exact Mass388.28
IUPAC Name(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxyhexanal
SMILESCC[Si](CC)(CC)O[C@@H](C)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O
InChIInChI=1S/C20H44O3Si2/c1-12-25(13-2,14-3)22-18(6)17(5)19(16(4)15-21)23-24(10,11)20(7,8)9/h15-19H,12-14H2,1-11H3/t16-,17-,18-,19+/m0/s1
InChIKeyRFTKZKZNKLCJIZ-CADBVGFASA-N
XLogP6.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
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

(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentanal
CID 10861695
(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal
CID 11821284
(2S,3S,4R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2,4-dimethylpentanal
CID 11003293
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-ynal
CID 11067797
(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal
CID 11111192
(2R,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanal
CID 11245787
(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-triethylsilyloxypentanal
CID 11717470
(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
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanal
CID 134872580
(2S,3S,4S,5R)-2,4-dimethyl-3-trimethylsilyloxy-5-tri(propan-2-yl)silyloxyoctanal
CID 134930905
(2R,3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-trimethylsilyloxyoctanal
CID 134930906

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxyhexanal?
The IUPAC name of (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxyhexanal (CID 72701907) is (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxyhexanal.
What is the SMILES notation for (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxyhexanal?
The canonical SMILES for (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxyhexanal is CC[Si](CC)(CC)O[C@@H](C)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O.
What is the InChIKey of (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxyhexanal?
The InChIKey is RFTKZKZNKLCJIZ-CADBVGFASA-N. The full InChI is InChI=1S/C20H44O3Si2/c1-12-25(13-2,14-3)22-18(6)17(5)19(16(4)15-21)23-24(10,11)20(7,8)9/h15-19H,12-14H2,1-11H3/t16-,17-,18-,19+/m0/s1.
What are the key properties of (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxyhexanal?
(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxyhexanal has a molecular weight of 388.74 g/mol, XLogP of 6.26, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxyhexanal is sourced from PubChem (CID 72701907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).