3,4-dimethyl-3,4-bis(4-methylphenyl)oxolane-2,5-dione

C20H20O3 — CID 134922179

IUPAC3,4-dimethyl-3,4-bis(4-methylphenyl)oxolane-2,5-dione
SMILESCc1ccc(C2(C)C(=O)OC(=O)C2(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H20O3/c1-13-5-9-15(10-6-13)19(3)17(21)23-18(22)20(19,4)16-11-7-14(2)8-12-16/h5-12H,1-4H3
InChIKeyBFYYLOSHOSDQSM-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.60
Rot. Bonds2

About 3,4-dimethyl-3,4-bis(4-methylphenyl)oxolane-2,5-dione

3,4-dimethyl-3,4-bis(4-methylphenyl)oxolane-2,5-dione (PubChem CID 134922179) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3,4-dimethyl-3,4-bis(4-methylphenyl)oxolane-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-3,4-bis(4-methylphenyl)oxolane-2,5-dione
PubChem CID134922179
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name3,4-dimethyl-3,4-bis(4-methylphenyl)oxolane-2,5-dione
SMILESCc1ccc(C2(C)C(=O)OC(=O)C2(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H20O3/c1-13-5-9-15(10-6-13)19(3)17(21)23-18(22)20(19,4)16-11-7-14(2)8-12-16/h5-12H,1-4H3
InChIKeyBFYYLOSHOSDQSM-UHFFFAOYSA-N
XLogP3.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-3,4-bis(4-methylphenyl)oxolane-2,5-dione?
The IUPAC name of 3,4-dimethyl-3,4-bis(4-methylphenyl)oxolane-2,5-dione (CID 134922179) is 3,4-dimethyl-3,4-bis(4-methylphenyl)oxolane-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-3,4-bis(4-methylphenyl)oxolane-2,5-dione?
The canonical SMILES for 3,4-dimethyl-3,4-bis(4-methylphenyl)oxolane-2,5-dione is Cc1ccc(C2(C)C(=O)OC(=O)C2(C)c2ccc(C)cc2)cc1.
What is the InChIKey of 3,4-dimethyl-3,4-bis(4-methylphenyl)oxolane-2,5-dione?
The InChIKey is BFYYLOSHOSDQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-13-5-9-15(10-6-13)19(3)17(21)23-18(22)20(19,4)16-11-7-14(2)8-12-16/h5-12H,1-4H3.
What are the key properties of 3,4-dimethyl-3,4-bis(4-methylphenyl)oxolane-2,5-dione?
3,4-dimethyl-3,4-bis(4-methylphenyl)oxolane-2,5-dione has a molecular weight of 308.38 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-3,4-bis(4-methylphenyl)oxolane-2,5-dione is sourced from PubChem (CID 134922179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).