4,5-dimethyl-2,5-dihydrofuran-2-carboxylic acid

C7H10O3 — CID 55303275

IUPAC4,5-dimethyl-2,5-dihydrofuran-2-carboxylic acid
SMILESCC1=CC(C(=O)O)OC1C
InChIInChI=1S/C7H10O3/c1-4-3-6(7(8)9)10-5(4)2/h3,5-6H,1-2H3,(H,8,9)
InChIKeyTZWLGOLVBKSRFO-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.80
Rot. Bonds1

About 4,5-dimethyl-2,5-dihydrofuran-2-carboxylic acid

4,5-dimethyl-2,5-dihydrofuran-2-carboxylic acid (PubChem CID 55303275) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4,5-dimethyl-2,5-dihydrofuran-2-carboxylic acid.

Molecular Properties

Compound Name4,5-dimethyl-2,5-dihydrofuran-2-carboxylic acid
PubChem CID55303275
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4,5-dimethyl-2,5-dihydrofuran-2-carboxylic acid
SMILESCC1=CC(C(=O)O)OC1C
InChIInChI=1S/C7H10O3/c1-4-3-6(7(8)9)10-5(4)2/h3,5-6H,1-2H3,(H,8,9)
InChIKeyTZWLGOLVBKSRFO-UHFFFAOYSA-N
XLogP0.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,5-dihydrofuran-2-carboxylic acid?
The IUPAC name of 4,5-dimethyl-2,5-dihydrofuran-2-carboxylic acid (CID 55303275) is 4,5-dimethyl-2,5-dihydrofuran-2-carboxylic acid.
What is the SMILES notation for 4,5-dimethyl-2,5-dihydrofuran-2-carboxylic acid?
The canonical SMILES for 4,5-dimethyl-2,5-dihydrofuran-2-carboxylic acid is CC1=CC(C(=O)O)OC1C.
What is the InChIKey of 4,5-dimethyl-2,5-dihydrofuran-2-carboxylic acid?
The InChIKey is TZWLGOLVBKSRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-3-6(7(8)9)10-5(4)2/h3,5-6H,1-2H3,(H,8,9).
What are the key properties of 4,5-dimethyl-2,5-dihydrofuran-2-carboxylic acid?
4,5-dimethyl-2,5-dihydrofuran-2-carboxylic acid has a molecular weight of 142.15 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,5-dihydrofuran-2-carboxylic acid is sourced from PubChem (CID 55303275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).