[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-3-yl] acetate

C13H26O4Si — CID 10869507

IUPAC[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-3-yl] acetate
SMILESCC(=O)O[C@@H](CC=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-11(15)17-12(7-9-14)8-10-16-18(5,6)13(2,3)4/h9,12H,7-8,10H2,1-6H3/t12-/m0/s1
InChIKeyIELATHXXDIFCRS-LBPRGKRZSA-N
MW274.43 g/mol
LogP2.92
Rot. Bonds7

About [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-3-yl] acetate

[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-3-yl] acetate (PubChem CID 10869507) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-3-yl] acetate.

Molecular Properties

Compound Name[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-3-yl] acetate
PubChem CID10869507
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-3-yl] acetate
SMILESCC(=O)O[C@@H](CC=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-11(15)17-12(7-9-14)8-10-16-18(5,6)13(2,3)4/h9,12H,7-8,10H2,1-6H3/t12-/m0/s1
InChIKeyIELATHXXDIFCRS-LBPRGKRZSA-N
XLogP2.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.92
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'}

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Related Compounds

3-(Tert-butyldimethylsiloxy)glutaric anhydride
CID 4141040
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 101860943
Dimethyl 3-([tert-butyl(dimethyl)silyl]oxy)pentanedioate
CID 560716
Diethyl 3-(tert-Butyldimethylsilyloxy)glutarate
CID 13327289
Methyl (3R)-3-(((1,1-dimethylethyl)dimethylsilyl)oxy)-5-oxopentanoate
CID 11065195
methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanoate
CID 11266221
Dimethyl 3-triethylsilyloxypentanedioate
CID 11716231
tert-butyl (2R,3R,4R)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentanoate
CID 135012524
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanal
CID 135039433
[3-[Fluoro-bis(trimethylsilyl)silyl]oxy-5-oxopentyl] acetate
CID 10991798
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 129404573
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 10900943

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-3-yl] acetate?
The IUPAC name of [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-3-yl] acetate (CID 10869507) is [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-3-yl] acetate.
What is the SMILES notation for [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-3-yl] acetate?
The canonical SMILES for [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-3-yl] acetate is CC(=O)O[C@@H](CC=O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-3-yl] acetate?
The InChIKey is IELATHXXDIFCRS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-11(15)17-12(7-9-14)8-10-16-18(5,6)13(2,3)4/h9,12H,7-8,10H2,1-6H3/t12-/m0/s1.
What are the key properties of [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-3-yl] acetate?
[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-3-yl] acetate has a molecular weight of 274.43 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-3-yl] acetate is sourced from PubChem (CID 10869507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).