(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanal

C13H28O4Si — CID 135039433

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanal
SMILESCOC(C[C@@H](CC=O)O[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C13H28O4Si/c1-13(2,3)18(6,7)17-11(8-9-14)10-12(15-4)16-5/h9,11-12H,8,10H2,1-7H3/t11-/m1/s1
InChIKeyHVRZPADSUDEVIY-LLVKDONJSA-N
MW276.45 g/mol
LogP2.97
Rot. Bonds8

About (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanal

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanal (PubChem CID 135039433) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanal.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanal
PubChem CID135039433
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanal
SMILESCOC(C[C@@H](CC=O)O[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C13H28O4Si/c1-13(2,3)18(6,7)17-11(8-9-14)10-12(15-4)16-5/h9,11-12H,8,10H2,1-7H3/t11-/m1/s1
InChIKeyHVRZPADSUDEVIY-LLVKDONJSA-N
XLogP2.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Methyl (3R)-3-(((1,1-dimethylethyl)dimethylsilyl)oxy)-5-oxopentanoate
CID 11065195
(3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-(methoxymethoxy)pentanal
CID 46944342
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 90222513
Methyl 3-((tert-butyldimethylsilyl)oxy)-5,5-dimethoxypentanoate
CID 167350243
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 10106693
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-di(propan-2-yloxy)pentanal
CID 10806514
[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-3-yl] acetate
CID 10869507
(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxypentanal
CID 10890218
3,3-Dimethoxy-5-triethylsilyloxypentanal
CID 10945718
(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hexanal
CID 46218225
(3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methylpentanal
CID 46899842
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxypentanal
CID 46944384

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanal?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanal (CID 135039433) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanal.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanal?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanal is COC(C[C@@H](CC=O)O[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanal?
The InChIKey is HVRZPADSUDEVIY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H28O4Si/c1-13(2,3)18(6,7)17-11(8-9-14)10-12(15-4)16-5/h9,11-12H,8,10H2,1-7H3/t11-/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanal?
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanal has a molecular weight of 276.45 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanal is sourced from PubChem (CID 135039433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).