dimethyl 5,5-dimethyl-2-(4-methylphenyl)-2H-furan-3,4-dicarboxylate

C17H20O5 — CID 177414225

IUPACdimethyl 5,5-dimethyl-2-(4-methylphenyl)-2H-furan-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(C)(C)OC1c1ccc(C)cc1
InChIInChI=1S/C17H20O5/c1-10-6-8-11(9-7-10)14-12(15(18)20-4)13(16(19)21-5)17(2,3)22-14/h6-9,14H,1-5H3
InChIKeyOIAJHGRJNNUNPR-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.49
Rot. Bonds3

About dimethyl 5,5-dimethyl-2-(4-methylphenyl)-2H-furan-3,4-dicarboxylate

dimethyl 5,5-dimethyl-2-(4-methylphenyl)-2H-furan-3,4-dicarboxylate (PubChem CID 177414225) has the molecular formula C17H20O5 and a molecular weight of 304.34 g/mol. Its IUPAC name is dimethyl 5,5-dimethyl-2-(4-methylphenyl)-2H-furan-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5,5-dimethyl-2-(4-methylphenyl)-2H-furan-3,4-dicarboxylate
PubChem CID177414225
Molecular FormulaC17H20O5
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Namedimethyl 5,5-dimethyl-2-(4-methylphenyl)-2H-furan-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(C)(C)OC1c1ccc(C)cc1
InChIInChI=1S/C17H20O5/c1-10-6-8-11(9-7-10)14-12(15(18)20-4)13(16(19)21-5)17(2,3)22-14/h6-9,14H,1-5H3
InChIKeyOIAJHGRJNNUNPR-UHFFFAOYSA-N
XLogP2.49
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5,5-dimethyl-2-(4-methylphenyl)-2H-furan-3,4-dicarboxylate?
The IUPAC name of dimethyl 5,5-dimethyl-2-(4-methylphenyl)-2H-furan-3,4-dicarboxylate (CID 177414225) is dimethyl 5,5-dimethyl-2-(4-methylphenyl)-2H-furan-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 5,5-dimethyl-2-(4-methylphenyl)-2H-furan-3,4-dicarboxylate?
The canonical SMILES for dimethyl 5,5-dimethyl-2-(4-methylphenyl)-2H-furan-3,4-dicarboxylate is COC(=O)C1=C(C(=O)OC)C(C)(C)OC1c1ccc(C)cc1.
What is the InChIKey of dimethyl 5,5-dimethyl-2-(4-methylphenyl)-2H-furan-3,4-dicarboxylate?
The InChIKey is OIAJHGRJNNUNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O5/c1-10-6-8-11(9-7-10)14-12(15(18)20-4)13(16(19)21-5)17(2,3)22-14/h6-9,14H,1-5H3.
What are the key properties of dimethyl 5,5-dimethyl-2-(4-methylphenyl)-2H-furan-3,4-dicarboxylate?
dimethyl 5,5-dimethyl-2-(4-methylphenyl)-2H-furan-3,4-dicarboxylate has a molecular weight of 304.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5,5-dimethyl-2-(4-methylphenyl)-2H-furan-3,4-dicarboxylate is sourced from PubChem (CID 177414225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).