methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxohexanoate

C15H30O4Si — CID 10870388

IUPACmethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxohexanoate
SMILESCOC(=O)[C@](C)(O[Si](C)(C)C(C)(C)C)[C@H](C)CC(C)=O
InChIInChI=1S/C15H30O4Si/c1-11(10-12(2)16)15(6,13(17)18-7)19-20(8,9)14(3,4)5/h11H,10H2,1-9H3/t11-,15-/m1/s1
InChIKeyZVCZWBZIJFRGNF-IAQYHMDHSA-N
MW302.49 g/mol
LogP3.56
Rot. Bonds6

About methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxohexanoate

methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxohexanoate (PubChem CID 10870388) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxohexanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxohexanoate
PubChem CID10870388
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Namemethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxohexanoate
SMILESCOC(=O)[C@](C)(O[Si](C)(C)C(C)(C)C)[C@H](C)CC(C)=O
InChIInChI=1S/C15H30O4Si/c1-11(10-12(2)16)15(6,13(17)18-7)19-20(8,9)14(3,4)5/h11H,10H2,1-9H3/t11-,15-/m1/s1
InChIKeyZVCZWBZIJFRGNF-IAQYHMDHSA-N
XLogP3.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxopentanoate
CID 11108990
Methyl 5-acetyl-2,2,5-trimethyloxasilolane-3-carboxylate
CID 100965125
Methyl 5-acetyl-5-methyl-2,2-di(propan-2-yl)oxasilolane-3-carboxylate
CID 100965126

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxohexanoate?
The IUPAC name of methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxohexanoate (CID 10870388) is methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxohexanoate.
What is the SMILES notation for methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxohexanoate?
The canonical SMILES for methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxohexanoate is COC(=O)[C@](C)(O[Si](C)(C)C(C)(C)C)[C@H](C)CC(C)=O.
What is the InChIKey of methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxohexanoate?
The InChIKey is ZVCZWBZIJFRGNF-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-11(10-12(2)16)15(6,13(17)18-7)19-20(8,9)14(3,4)5/h11H,10H2,1-9H3/t11-,15-/m1/s1.
What are the key properties of methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxohexanoate?
methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxohexanoate has a molecular weight of 302.49 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxohexanoate is sourced from PubChem (CID 10870388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).