methyl 2-methoxy-5-oxo-2-propan-2-yl-4-trimethylsilylfuran-3-carboxylate

C13H22O5Si — CID 10660893

IUPACmethyl 2-methoxy-5-oxo-2-propan-2-yl-4-trimethylsilylfuran-3-carboxylate
SMILESCOC(=O)C1=C([Si](C)(C)C)C(=O)OC1(OC)C(C)C
InChIInChI=1S/C13H22O5Si/c1-8(2)13(17-4)9(11(14)16-3)10(12(15)18-13)19(5,6)7/h8H,1-7H3
InChIKeyHLBZJOWVXBDVST-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.89
Rot. Bonds4

About methyl 2-methoxy-5-oxo-2-propan-2-yl-4-trimethylsilylfuran-3-carboxylate

methyl 2-methoxy-5-oxo-2-propan-2-yl-4-trimethylsilylfuran-3-carboxylate (PubChem CID 10660893) has the molecular formula C13H22O5Si and a molecular weight of 286.40 g/mol. Its IUPAC name is methyl 2-methoxy-5-oxo-2-propan-2-yl-4-trimethylsilylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-oxo-2-propan-2-yl-4-trimethylsilylfuran-3-carboxylate
PubChem CID10660893
Molecular FormulaC13H22O5Si
Molecular Weight286.40 g/mol
Exact Mass286.12
IUPAC Namemethyl 2-methoxy-5-oxo-2-propan-2-yl-4-trimethylsilylfuran-3-carboxylate
SMILESCOC(=O)C1=C([Si](C)(C)C)C(=O)OC1(OC)C(C)C
InChIInChI=1S/C13H22O5Si/c1-8(2)13(17-4)9(11(14)16-3)10(12(15)18-13)19(5,6)7/h8H,1-7H3
InChIKeyHLBZJOWVXBDVST-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
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 (3S,4R)-4-ethoxy-3-methyl-2-trimethylsilylcyclobutene-1-carboxylate
CID 10633949
Methyl 2-methyl-2-(3-methyl-5-oxo-2-trimethylsilyloxyfuran-2-yl)propanoate
CID 46910298
Methyl 2-(3,4-dimethyl-5-oxo-2-trimethylsilyloxyfuran-2-yl)-2-methylpropanoate
CID 46910367
Methyl 2-(2-methoxy-3,4-dimethyl-5-oxofuran-2-yl)acetate
CID 163110789
methyl 2-[(2R)-2-methoxy-3,4-dimethyl-5-oxofuran-2-yl]acetate
CID 163110790

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-oxo-2-propan-2-yl-4-trimethylsilylfuran-3-carboxylate?
The IUPAC name of methyl 2-methoxy-5-oxo-2-propan-2-yl-4-trimethylsilylfuran-3-carboxylate (CID 10660893) is methyl 2-methoxy-5-oxo-2-propan-2-yl-4-trimethylsilylfuran-3-carboxylate.
What is the SMILES notation for methyl 2-methoxy-5-oxo-2-propan-2-yl-4-trimethylsilylfuran-3-carboxylate?
The canonical SMILES for methyl 2-methoxy-5-oxo-2-propan-2-yl-4-trimethylsilylfuran-3-carboxylate is COC(=O)C1=C([Si](C)(C)C)C(=O)OC1(OC)C(C)C.
What is the InChIKey of methyl 2-methoxy-5-oxo-2-propan-2-yl-4-trimethylsilylfuran-3-carboxylate?
The InChIKey is HLBZJOWVXBDVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5Si/c1-8(2)13(17-4)9(11(14)16-3)10(12(15)18-13)19(5,6)7/h8H,1-7H3.
What are the key properties of methyl 2-methoxy-5-oxo-2-propan-2-yl-4-trimethylsilylfuran-3-carboxylate?
methyl 2-methoxy-5-oxo-2-propan-2-yl-4-trimethylsilylfuran-3-carboxylate has a molecular weight of 286.40 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-oxo-2-propan-2-yl-4-trimethylsilylfuran-3-carboxylate is sourced from PubChem (CID 10660893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).