methyl 5-(methoxymethyl)-4,5-dimethyl-2-oxofuran-3-carboxylate

C10H14O5 — CID 2817236

IUPACmethyl 5-(methoxymethyl)-4,5-dimethyl-2-oxofuran-3-carboxylate
SMILESCOCC1(C)OC(=O)C(C(=O)OC)=C1C
InChIInChI=1S/C10H14O5/c1-6-7(8(11)14-4)9(12)15-10(6,2)5-13-3/h5H2,1-4H3
InChIKeyILNZMKDLBGHDBX-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.44
Rot. Bonds3

About methyl 5-(methoxymethyl)-4,5-dimethyl-2-oxofuran-3-carboxylate

methyl 5-(methoxymethyl)-4,5-dimethyl-2-oxofuran-3-carboxylate (PubChem CID 2817236) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 5-(methoxymethyl)-4,5-dimethyl-2-oxofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(methoxymethyl)-4,5-dimethyl-2-oxofuran-3-carboxylate
PubChem CID2817236
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namemethyl 5-(methoxymethyl)-4,5-dimethyl-2-oxofuran-3-carboxylate
SMILESCOCC1(C)OC(=O)C(C(=O)OC)=C1C
InChIInChI=1S/C10H14O5/c1-6-7(8(11)14-4)9(12)15-10(6,2)5-13-3/h5H2,1-4H3
InChIKeyILNZMKDLBGHDBX-UHFFFAOYSA-N
XLogP0.44
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze methyl 5-(methoxymethyl)-4,5-dimethyl-2-oxofuran-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-(methoxymethyl)-4,5-dimethyl-2-oxofuran-3-carboxylate?
The IUPAC name of methyl 5-(methoxymethyl)-4,5-dimethyl-2-oxofuran-3-carboxylate (CID 2817236) is methyl 5-(methoxymethyl)-4,5-dimethyl-2-oxofuran-3-carboxylate.
What is the SMILES notation for methyl 5-(methoxymethyl)-4,5-dimethyl-2-oxofuran-3-carboxylate?
The canonical SMILES for methyl 5-(methoxymethyl)-4,5-dimethyl-2-oxofuran-3-carboxylate is COCC1(C)OC(=O)C(C(=O)OC)=C1C.
What is the InChIKey of methyl 5-(methoxymethyl)-4,5-dimethyl-2-oxofuran-3-carboxylate?
The InChIKey is ILNZMKDLBGHDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-6-7(8(11)14-4)9(12)15-10(6,2)5-13-3/h5H2,1-4H3.
What are the key properties of methyl 5-(methoxymethyl)-4,5-dimethyl-2-oxofuran-3-carboxylate?
methyl 5-(methoxymethyl)-4,5-dimethyl-2-oxofuran-3-carboxylate has a molecular weight of 214.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methoxymethyl)-4,5-dimethyl-2-oxofuran-3-carboxylate is sourced from PubChem (CID 2817236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).