methyl 2,5-dimethoxy-2H-furan-5-carboxylate

C8H12O5 — CID 2723832

IUPACmethyl 2,5-dimethoxy-2H-furan-5-carboxylate
SMILESCOC(=O)C1(OC)C=CC(OC)O1
InChIInChI=1S/C8H12O5/c1-10-6-4-5-8(12-3,13-6)7(9)11-2/h4-6H,1-3H3
InChIKeyGHVXSSBZJZUDSO-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.06
Rot. Bonds3

About methyl 2,5-dimethoxy-2H-furan-5-carboxylate

methyl 2,5-dimethoxy-2H-furan-5-carboxylate (PubChem CID 2723832) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is methyl 2,5-dimethoxy-2H-furan-5-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dimethoxy-2H-furan-5-carboxylate
PubChem CID2723832
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Namemethyl 2,5-dimethoxy-2H-furan-5-carboxylate
SMILESCOC(=O)C1(OC)C=CC(OC)O1
InChIInChI=1S/C8H12O5/c1-10-6-4-5-8(12-3,13-6)7(9)11-2/h4-6H,1-3H3
InChIKeyGHVXSSBZJZUDSO-UHFFFAOYSA-N
XLogP0.06
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethoxy-2H-furan-5-carboxylate?
The IUPAC name of methyl 2,5-dimethoxy-2H-furan-5-carboxylate (CID 2723832) is methyl 2,5-dimethoxy-2H-furan-5-carboxylate.
What is the SMILES notation for methyl 2,5-dimethoxy-2H-furan-5-carboxylate?
The canonical SMILES for methyl 2,5-dimethoxy-2H-furan-5-carboxylate is COC(=O)C1(OC)C=CC(OC)O1.
What is the InChIKey of methyl 2,5-dimethoxy-2H-furan-5-carboxylate?
The InChIKey is GHVXSSBZJZUDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5/c1-10-6-4-5-8(12-3,13-6)7(9)11-2/h4-6H,1-3H3.
What are the key properties of methyl 2,5-dimethoxy-2H-furan-5-carboxylate?
methyl 2,5-dimethoxy-2H-furan-5-carboxylate has a molecular weight of 188.18 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethoxy-2H-furan-5-carboxylate is sourced from PubChem (CID 2723832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).