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

C19H42O3Si2 — CID 10547452

IUPAC(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhexanal
SMILESC[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-15(16(2)21-23(9,10)18(3,4)5)17(13-14-20)22-24(11,12)19(6,7)8/h14-17H,13H2,1-12H3/t15-,16+,17+/m0/s1
InChIKeyGISPKMCJKNWDPE-GVDBMIGSSA-N
MW374.71 g/mol
LogP6.01
Rot. Bonds8

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

(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhexanal (PubChem CID 10547452) has the molecular formula C19H42O3Si2 and a molecular weight of 374.71 g/mol. Its IUPAC name is (3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhexanal.

Molecular Properties

Compound Name(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhexanal
PubChem CID10547452
Molecular FormulaC19H42O3Si2
Molecular Weight374.71 g/mol
Exact Mass374.27
IUPAC Name(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhexanal
SMILESC[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-15(16(2)21-23(9,10)18(3,4)5)17(13-14-20)22-24(11,12)19(6,7)8/h14-17H,13H2,1-12H3/t15-,16+,17+/m0/s1
InChIKeyGISPKMCJKNWDPE-GVDBMIGSSA-N
XLogP6.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.71
LogP ≤ 56.01
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
(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxyhexanal
CID 72701907
(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

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhexanal?
The IUPAC name of (3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhexanal (CID 10547452) is (3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhexanal.
What is the SMILES notation for (3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhexanal?
The canonical SMILES for (3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhexanal is C[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhexanal?
The InChIKey is GISPKMCJKNWDPE-GVDBMIGSSA-N. The full InChI is InChI=1S/C19H42O3Si2/c1-15(16(2)21-23(9,10)18(3,4)5)17(13-14-20)22-24(11,12)19(6,7)8/h14-17H,13H2,1-12H3/t15-,16+,17+/m0/s1.
What are the key properties of (3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhexanal?
(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhexanal has a molecular weight of 374.71 g/mol, XLogP of 6.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhexanal is sourced from PubChem (CID 10547452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).