3-(3,4,5-trimethyl-2,5-dihydrofuran-2-yl)oxolane-2,5-dione

C11H14O4 — CID 130177882

IUPAC3-(3,4,5-trimethyl-2,5-dihydrofuran-2-yl)oxolane-2,5-dione
SMILESCC1=C(C)C(C2CC(=O)OC2=O)OC1C
InChIInChI=1S/C11H14O4/c1-5-6(2)10(14-7(5)3)8-4-9(12)15-11(8)13/h7-8,10H,4H2,1-3H3
InChIKeyUGSLEPBMCQXRJF-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.20
Rot. Bonds1

About 3-(3,4,5-trimethyl-2,5-dihydrofuran-2-yl)oxolane-2,5-dione

3-(3,4,5-trimethyl-2,5-dihydrofuran-2-yl)oxolane-2,5-dione (PubChem CID 130177882) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(3,4,5-trimethyl-2,5-dihydrofuran-2-yl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-(3,4,5-trimethyl-2,5-dihydrofuran-2-yl)oxolane-2,5-dione
PubChem CID130177882
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name3-(3,4,5-trimethyl-2,5-dihydrofuran-2-yl)oxolane-2,5-dione
SMILESCC1=C(C)C(C2CC(=O)OC2=O)OC1C
InChIInChI=1S/C11H14O4/c1-5-6(2)10(14-7(5)3)8-4-9(12)15-11(8)13/h7-8,10H,4H2,1-3H3
InChIKeyUGSLEPBMCQXRJF-UHFFFAOYSA-N
XLogP1.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(3,4,5-trimethyl-2,5-dihydrofuran-2-yl)oxolane-2,5-dione 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 3-(3,4,5-trimethyl-2,5-dihydrofuran-2-yl)oxolane-2,5-dione?
The IUPAC name of 3-(3,4,5-trimethyl-2,5-dihydrofuran-2-yl)oxolane-2,5-dione (CID 130177882) is 3-(3,4,5-trimethyl-2,5-dihydrofuran-2-yl)oxolane-2,5-dione.
What is the SMILES notation for 3-(3,4,5-trimethyl-2,5-dihydrofuran-2-yl)oxolane-2,5-dione?
The canonical SMILES for 3-(3,4,5-trimethyl-2,5-dihydrofuran-2-yl)oxolane-2,5-dione is CC1=C(C)C(C2CC(=O)OC2=O)OC1C.
What is the InChIKey of 3-(3,4,5-trimethyl-2,5-dihydrofuran-2-yl)oxolane-2,5-dione?
The InChIKey is UGSLEPBMCQXRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-5-6(2)10(14-7(5)3)8-4-9(12)15-11(8)13/h7-8,10H,4H2,1-3H3.
What are the key properties of 3-(3,4,5-trimethyl-2,5-dihydrofuran-2-yl)oxolane-2,5-dione?
3-(3,4,5-trimethyl-2,5-dihydrofuran-2-yl)oxolane-2,5-dione has a molecular weight of 210.23 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5-trimethyl-2,5-dihydrofuran-2-yl)oxolane-2,5-dione is sourced from PubChem (CID 130177882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).