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

C13H28O3Si — CID 15373161

IUPAC(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal
SMILESCC(C=O)[C@@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-10(8-14)12(15)11(2)9-16-17(6,7)13(3,4)5/h8,10-12,15H,9H2,1-7H3/t10?,11-,12-/m1/s1
InChIKeyWTHLGLXFOUTDSA-PQDIPPBSSA-N
MW260.45 g/mol
LogP2.84
Rot. Bonds6

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

(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal (PubChem CID 15373161) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is (2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal.

Molecular Properties

Compound Name(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal
PubChem CID15373161
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal
SMILESCC(C=O)[C@@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-10(8-14)12(15)11(2)9-16-17(6,7)13(3,4)5/h8,10-12,15H,9H2,1-7H3/t10?,11-,12-/m1/s1
InChIKeyWTHLGLXFOUTDSA-PQDIPPBSSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
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,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 10868598
(2S)-2-[(4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinan-4-yl]propanal
CID 10913151
(3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxypentanal
CID 11000736
(2S,3S,4R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2,4-dimethylpentanal
CID 11003293
(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
(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
3-O-[tert-Butyl(dimethyl)silyl]-2,4-dideoxy-2,4-dimethyl-5-O-(triethylsilyl)-L-arabinose
CID 57352133
(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal
CID 57788313
(2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanal
CID 59891842

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal?
The IUPAC name of (2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal (CID 15373161) is (2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal.
What is the SMILES notation for (2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal?
The canonical SMILES for (2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal is CC(C=O)[C@@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal?
The InChIKey is WTHLGLXFOUTDSA-PQDIPPBSSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-10(8-14)12(15)11(2)9-16-17(6,7)13(3,4)5/h8,10-12,15H,9H2,1-7H3/t10?,11-,12-/m1/s1.
What are the key properties of (2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal?
(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal has a molecular weight of 260.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal is sourced from PubChem (CID 15373161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).