methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate

C13H26O4Si — CID 90371787

IUPACmethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate
SMILESCOC(=O)C[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-13(2,3)18(5,6)17-11(8-7-9-14)10-12(15)16-4/h9,11H,7-8,10H2,1-6H3/t11-/m1/s1
InChIKeyRGJSMDIHKVPPFQ-LLVKDONJSA-N
MW274.43 g/mol
LogP2.92
Rot. Bonds7

About methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate

methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate (PubChem CID 90371787) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate
PubChem CID90371787
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Namemethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate
SMILESCOC(=O)C[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-13(2,3)18(5,6)17-11(8-7-9-14)10-12(15)16-4/h9,11H,7-8,10H2,1-6H3/t11-/m1/s1
InChIKeyRGJSMDIHKVPPFQ-LLVKDONJSA-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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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate?
The IUPAC name of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate (CID 90371787) is methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate.
What is the SMILES notation for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate?
The canonical SMILES for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate is COC(=O)C[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate?
The InChIKey is RGJSMDIHKVPPFQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-13(2,3)18(5,6)17-11(8-7-9-14)10-12(15)16-4/h9,11H,7-8,10H2,1-6H3/t11-/m1/s1.
What are the key properties of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate?
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate 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 methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate is sourced from PubChem (CID 90371787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).