methyl 2-methyl-2-(3-methyl-5-oxo-2-trimethylsilyloxyfuran-2-yl)propanoate

C13H22O5Si — CID 46910298

IUPACmethyl 2-methyl-2-(3-methyl-5-oxo-2-trimethylsilyloxyfuran-2-yl)propanoate
SMILESCOC(=O)C(C)(C)C1(O[Si](C)(C)C)OC(=O)C=C1C
InChIInChI=1S/C13H22O5Si/c1-9-8-10(14)17-13(9,18-19(5,6)7)12(2,3)11(15)16-4/h8H,1-7H3
InChIKeyJHVJSTVHRSBVFM-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.24
Rot. Bonds4

About methyl 2-methyl-2-(3-methyl-5-oxo-2-trimethylsilyloxyfuran-2-yl)propanoate

methyl 2-methyl-2-(3-methyl-5-oxo-2-trimethylsilyloxyfuran-2-yl)propanoate (PubChem CID 46910298) has the molecular formula C13H22O5Si and a molecular weight of 286.40 g/mol. Its IUPAC name is methyl 2-methyl-2-(3-methyl-5-oxo-2-trimethylsilyloxyfuran-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(3-methyl-5-oxo-2-trimethylsilyloxyfuran-2-yl)propanoate
PubChem CID46910298
Molecular FormulaC13H22O5Si
Molecular Weight286.40 g/mol
Exact Mass286.12
IUPAC Namemethyl 2-methyl-2-(3-methyl-5-oxo-2-trimethylsilyloxyfuran-2-yl)propanoate
SMILESCOC(=O)C(C)(C)C1(O[Si](C)(C)C)OC(=O)C=C1C
InChIInChI=1S/C13H22O5Si/c1-9-8-10(14)17-13(9,18-19(5,6)7)12(2,3)11(15)16-4/h8H,1-7H3
InChIKeyJHVJSTVHRSBVFM-UHFFFAOYSA-N
XLogP2.24
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-methoxy-5-oxo-2-propan-2-yl-4-trimethylsilylfuran-3-carboxylate
CID 10660893
ethyl (Z)-6-ethoxycarbonyloxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate
CID 11502268
ethyl (E)-6-ethoxycarbonyloxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate
CID 12167546
Methyl 2-(2-hydroxy-3-methyl-5-oxofuran-2-yl)-2-methylpropanoate
CID 46910299
Methyl 2-(3,4-dimethyl-5-oxo-2-trimethylsilyloxyfuran-2-yl)-2-methylpropanoate
CID 46910367

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(3-methyl-5-oxo-2-trimethylsilyloxyfuran-2-yl)propanoate?
The IUPAC name of methyl 2-methyl-2-(3-methyl-5-oxo-2-trimethylsilyloxyfuran-2-yl)propanoate (CID 46910298) is methyl 2-methyl-2-(3-methyl-5-oxo-2-trimethylsilyloxyfuran-2-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(3-methyl-5-oxo-2-trimethylsilyloxyfuran-2-yl)propanoate?
The canonical SMILES for methyl 2-methyl-2-(3-methyl-5-oxo-2-trimethylsilyloxyfuran-2-yl)propanoate is COC(=O)C(C)(C)C1(O[Si](C)(C)C)OC(=O)C=C1C.
What is the InChIKey of methyl 2-methyl-2-(3-methyl-5-oxo-2-trimethylsilyloxyfuran-2-yl)propanoate?
The InChIKey is JHVJSTVHRSBVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5Si/c1-9-8-10(14)17-13(9,18-19(5,6)7)12(2,3)11(15)16-4/h8H,1-7H3.
What are the key properties of methyl 2-methyl-2-(3-methyl-5-oxo-2-trimethylsilyloxyfuran-2-yl)propanoate?
methyl 2-methyl-2-(3-methyl-5-oxo-2-trimethylsilyloxyfuran-2-yl)propanoate has a molecular weight of 286.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(3-methyl-5-oxo-2-trimethylsilyloxyfuran-2-yl)propanoate is sourced from PubChem (CID 46910298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).