methyl 2-(methoxymethyl)-5-methylfuran-3-carboxylate

C9H12O4 — CID 539859

IUPACmethyl 2-(methoxymethyl)-5-methylfuran-3-carboxylate
SMILESCOCc1oc(C)cc1C(=O)OC
InChIInChI=1S/C9H12O4/c1-6-4-7(9(10)12-3)8(13-6)5-11-2/h4H,5H2,1-3H3
InChIKeyWAXUUVZCFWSLDZ-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.52
Rot. Bonds3

About methyl 2-(methoxymethyl)-5-methylfuran-3-carboxylate

methyl 2-(methoxymethyl)-5-methylfuran-3-carboxylate (PubChem CID 539859) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is methyl 2-(methoxymethyl)-5-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(methoxymethyl)-5-methylfuran-3-carboxylate
PubChem CID539859
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Namemethyl 2-(methoxymethyl)-5-methylfuran-3-carboxylate
SMILESCOCc1oc(C)cc1C(=O)OC
InChIInChI=1S/C9H12O4/c1-6-4-7(9(10)12-3)8(13-6)5-11-2/h4H,5H2,1-3H3
InChIKeyWAXUUVZCFWSLDZ-UHFFFAOYSA-N
XLogP1.52
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(methoxymethyl)-5-methylfuran-3-carboxylate?
The IUPAC name of methyl 2-(methoxymethyl)-5-methylfuran-3-carboxylate (CID 539859) is methyl 2-(methoxymethyl)-5-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 2-(methoxymethyl)-5-methylfuran-3-carboxylate?
The canonical SMILES for methyl 2-(methoxymethyl)-5-methylfuran-3-carboxylate is COCc1oc(C)cc1C(=O)OC.
What is the InChIKey of methyl 2-(methoxymethyl)-5-methylfuran-3-carboxylate?
The InChIKey is WAXUUVZCFWSLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-6-4-7(9(10)12-3)8(13-6)5-11-2/h4H,5H2,1-3H3.
What are the key properties of methyl 2-(methoxymethyl)-5-methylfuran-3-carboxylate?
methyl 2-(methoxymethyl)-5-methylfuran-3-carboxylate has a molecular weight of 184.19 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxymethyl)-5-methylfuran-3-carboxylate is sourced from PubChem (CID 539859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).