methyl 2,5-dihydrofuran-2-carboxylate

C6H8O3 — CID 12634722

IUPACmethyl 2,5-dihydrofuran-2-carboxylate
SMILESCOC(=O)C1C=CCO1
InChIInChI=1S/C6H8O3/c1-8-6(7)5-3-2-4-9-5/h2-3,5H,4H2,1H3
InChIKeyJEXXYHJLISOZHN-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.11
Rot. Bonds1

About methyl 2,5-dihydrofuran-2-carboxylate

methyl 2,5-dihydrofuran-2-carboxylate (PubChem CID 12634722) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is methyl 2,5-dihydrofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dihydrofuran-2-carboxylate
PubChem CID12634722
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Namemethyl 2,5-dihydrofuran-2-carboxylate
SMILESCOC(=O)C1C=CCO1
InChIInChI=1S/C6H8O3/c1-8-6(7)5-3-2-4-9-5/h2-3,5H,4H2,1H3
InChIKeyJEXXYHJLISOZHN-UHFFFAOYSA-N
XLogP0.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2,5-dihydro-2,5-dimethoxy-2-furancarboxylate
CID 2723832
2,5-Dihydro-2-furancarboxylic acid
CID 12200717
5-Methyl-2,5-dihydrofuran-2-carboxylic acid
CID 12634720
3,6-Dihydro-6-methyl-2H-pyran-2-one
CID 9942131
[(3S)-3,6-dihydro-2H-pyran-3-yl] acetate
CID 12187917
Methyl 2-acetyloxybut-3-enoate
CID 14415563
Ethoxyfuranone
CID 67359996
trans-5-Methyl-2,5-dihydro-2-furoic acid
CID 96005265
Carbethoxypyran
CID 129813797
5-methyl-2H-furan-5-carboxylic acid
CID 12200718
2-Trifluoromethyl-2,5-dihydro-furan-2-carboxylic acid ethyl ester
CID 58964468
(5S)-5-(Methoxymethyl)-2(5H)-furanone
CID 12689893

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dihydrofuran-2-carboxylate?
The IUPAC name of methyl 2,5-dihydrofuran-2-carboxylate (CID 12634722) is methyl 2,5-dihydrofuran-2-carboxylate.
What is the SMILES notation for methyl 2,5-dihydrofuran-2-carboxylate?
The canonical SMILES for methyl 2,5-dihydrofuran-2-carboxylate is COC(=O)C1C=CCO1.
What is the InChIKey of methyl 2,5-dihydrofuran-2-carboxylate?
The InChIKey is JEXXYHJLISOZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-8-6(7)5-3-2-4-9-5/h2-3,5H,4H2,1H3.
What are the key properties of methyl 2,5-dihydrofuran-2-carboxylate?
methyl 2,5-dihydrofuran-2-carboxylate has a molecular weight of 128.13 g/mol, XLogP of 0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dihydrofuran-2-carboxylate is sourced from PubChem (CID 12634722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).