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

C19H42O3Si2 — CID 11003293

IUPAC(2S,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanal
SMILESCC(C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-15(13-20)17(22-24(11,12)19(6,7)8)16(2)14-21-23(9,10)18(3,4)5/h13,15-17H,14H2,1-12H3/t15?,16-,17-/m1/s1
InChIKeyOZORUITXYNYBII-YJEKIOLLSA-N
MW374.71 g/mol
LogP5.87
Rot. Bonds8

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

(2S,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanal (PubChem CID 11003293) has the molecular formula C19H42O3Si2 and a molecular weight of 374.71 g/mol. Its IUPAC name is (2S,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanal.

Molecular Properties

Compound Name(2S,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanal
PubChem CID11003293
Molecular FormulaC19H42O3Si2
Molecular Weight374.71 g/mol
Exact Mass374.27
IUPAC Name(2S,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanal
SMILESCC(C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-15(13-20)17(22-24(11,12)19(6,7)8)16(2)14-21-23(9,10)18(3,4)5/h13,15-17H,14H2,1-12H3/t15?,16-,17-/m1/s1
InChIKeyOZORUITXYNYBII-YJEKIOLLSA-N
XLogP5.87
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 ≤ 55.87
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
Ctk3G4223
CID 9543585
(2S)-2-[(4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinan-4-yl]propanal
CID 10913151
(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
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,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal
CID 101425651
(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentanal
CID 134963669
(2S,3R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxypentanal
CID 134969090
(2R,4S)-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanedial
CID 135077678

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanal?
The IUPAC name of (2S,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanal (CID 11003293) is (2S,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanal.
What is the SMILES notation for (2S,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanal?
The canonical SMILES for (2S,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanal is CC(C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanal?
The InChIKey is OZORUITXYNYBII-YJEKIOLLSA-N. The full InChI is InChI=1S/C19H42O3Si2/c1-15(13-20)17(22-24(11,12)19(6,7)8)16(2)14-21-23(9,10)18(3,4)5/h13,15-17H,14H2,1-12H3/t15?,16-,17-/m1/s1.
What are the key properties of (2S,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanal?
(2S,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanal has a molecular weight of 374.71 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanal is sourced from PubChem (CID 11003293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).