(2S,4S,6S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethyloctanal

C22H48O3Si2 — CID 132563337

IUPAC(2S,4S,6S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethyloctanal
SMILESC[C@@H](CCO[Si](C)(C)C(C)(C)C)C[C@@H](C[C@H](C)C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48O3Si2/c1-18(13-14-24-26(9,10)21(3,4)5)15-20(16-19(2)17-23)25-27(11,12)22(6,7)8/h17-20H,13-16H2,1-12H3/t18-,19-,20-/m0/s1
InChIKeyXOYWBRMDUMCVTB-UFYCRDLUSA-N
MW416.80 g/mol
LogP7.04
Rot. Bonds11

About (2S,4S,6S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethyloctanal

(2S,4S,6S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethyloctanal (PubChem CID 132563337) has the molecular formula C22H48O3Si2 and a molecular weight of 416.80 g/mol. Its IUPAC name is (2S,4S,6S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethyloctanal.

Molecular Properties

Compound Name(2S,4S,6S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethyloctanal
PubChem CID132563337
Molecular FormulaC22H48O3Si2
Molecular Weight416.80 g/mol
Exact Mass416.31
IUPAC Name(2S,4S,6S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethyloctanal
SMILESC[C@@H](CCO[Si](C)(C)C(C)(C)C)C[C@@H](C[C@H](C)C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48O3Si2/c1-18(13-14-24-26(9,10)21(3,4)5)15-20(16-19(2)17-23)25-27(11,12)22(6,7)8/h17-20H,13-16H2,1-12H3/t18-,19-,20-/m0/s1
InChIKeyXOYWBRMDUMCVTB-UFYCRDLUSA-N
XLogP7.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.80
LogP ≤ 57.04
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

(4S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptan-2-one
CID 24886405
(3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]octanal
CID 25257955
(3R,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4,6-dimethyl-3-triethylsilyloxyheptanal
CID 135027413
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one
CID 135076388
(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanal
CID 138970752
(2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal
CID 138981465
(2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 139263534
(3R,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctanal
CID 10905822
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal
CID 11558306
2-butyl-7-(tert-butyldimethylsilyloxy)heptanaI
CID 18790891
4-[4-(Tert-butyldimethylsilanyloxy)cyclohexyl]butyraldehyde
CID 22009912
(2R,4S,5R,6S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxyundecanal
CID 57005796

Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethyloctanal?
The IUPAC name of (2S,4S,6S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethyloctanal (CID 132563337) is (2S,4S,6S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethyloctanal.
What is the SMILES notation for (2S,4S,6S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethyloctanal?
The canonical SMILES for (2S,4S,6S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethyloctanal is C[C@@H](CCO[Si](C)(C)C(C)(C)C)C[C@@H](C[C@H](C)C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,4S,6S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethyloctanal?
The InChIKey is XOYWBRMDUMCVTB-UFYCRDLUSA-N. The full InChI is InChI=1S/C22H48O3Si2/c1-18(13-14-24-26(9,10)21(3,4)5)15-20(16-19(2)17-23)25-27(11,12)22(6,7)8/h17-20H,13-16H2,1-12H3/t18-,19-,20-/m0/s1.
What are the key properties of (2S,4S,6S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethyloctanal?
(2S,4S,6S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethyloctanal has a molecular weight of 416.80 g/mol, XLogP of 7.04, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethyloctanal is sourced from PubChem (CID 132563337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).