5-propan-2-yl-2,5-dihydrofuran-2-carboxylic acid

C8H12O3 — CID 134976079

IUPAC5-propan-2-yl-2,5-dihydrofuran-2-carboxylic acid
SMILESCC(C)C1C=CC(C(=O)O)O1
InChIInChI=1S/C8H12O3/c1-5(2)6-3-4-7(11-6)8(9)10/h3-7H,1-2H3,(H,9,10)
InChIKeyQWODDCAWOUFAFT-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.05
Rot. Bonds2

About 5-propan-2-yl-2,5-dihydrofuran-2-carboxylic acid

5-propan-2-yl-2,5-dihydrofuran-2-carboxylic acid (PubChem CID 134976079) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 5-propan-2-yl-2,5-dihydrofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-propan-2-yl-2,5-dihydrofuran-2-carboxylic acid
PubChem CID134976079
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name5-propan-2-yl-2,5-dihydrofuran-2-carboxylic acid
SMILESCC(C)C1C=CC(C(=O)O)O1
InChIInChI=1S/C8H12O3/c1-5(2)6-3-4-7(11-6)8(9)10/h3-7H,1-2H3,(H,9,10)
InChIKeyQWODDCAWOUFAFT-UHFFFAOYSA-N
XLogP1.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-propan-2-yl-2,5-dihydrofuran-2-carboxylic acid 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 5-propan-2-yl-2,5-dihydrofuran-2-carboxylic acid?
The IUPAC name of 5-propan-2-yl-2,5-dihydrofuran-2-carboxylic acid (CID 134976079) is 5-propan-2-yl-2,5-dihydrofuran-2-carboxylic acid.
What is the SMILES notation for 5-propan-2-yl-2,5-dihydrofuran-2-carboxylic acid?
The canonical SMILES for 5-propan-2-yl-2,5-dihydrofuran-2-carboxylic acid is CC(C)C1C=CC(C(=O)O)O1.
What is the InChIKey of 5-propan-2-yl-2,5-dihydrofuran-2-carboxylic acid?
The InChIKey is QWODDCAWOUFAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-5(2)6-3-4-7(11-6)8(9)10/h3-7H,1-2H3,(H,9,10).
What are the key properties of 5-propan-2-yl-2,5-dihydrofuran-2-carboxylic acid?
5-propan-2-yl-2,5-dihydrofuran-2-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2,5-dihydrofuran-2-carboxylic acid is sourced from PubChem (CID 134976079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).