diethyl 4,5,5-trimethyl-2H-furan-2,3-dicarboxylate

C13H20O5 — CID 15367224

IUPACdiethyl 4,5,5-trimethyl-2H-furan-2,3-dicarboxylate
SMILESCCOC(=O)C1=C(C)C(C)(C)OC1C(=O)OCC
InChIInChI=1S/C13H20O5/c1-6-16-11(14)9-8(3)13(4,5)18-10(9)12(15)17-7-2/h10H,6-7H2,1-5H3
InChIKeyKTOMALVEXALBNS-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.61
Rot. Bonds4

About diethyl 4,5,5-trimethyl-2H-furan-2,3-dicarboxylate

diethyl 4,5,5-trimethyl-2H-furan-2,3-dicarboxylate (PubChem CID 15367224) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is diethyl 4,5,5-trimethyl-2H-furan-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 4,5,5-trimethyl-2H-furan-2,3-dicarboxylate
PubChem CID15367224
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Namediethyl 4,5,5-trimethyl-2H-furan-2,3-dicarboxylate
SMILESCCOC(=O)C1=C(C)C(C)(C)OC1C(=O)OCC
InChIInChI=1S/C13H20O5/c1-6-16-11(14)9-8(3)13(4,5)18-10(9)12(15)17-7-2/h10H,6-7H2,1-5H3
InChIKeyKTOMALVEXALBNS-UHFFFAOYSA-N
XLogP1.61
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

Pfcfyvvmubkymt-uhfffaoysa-
CID 11074751
dimethyl 4,5,5-trimethyl-2H-furan-2,3-dicarboxylate
CID 15367223
ditert-butyl 4,5,5-trimethyl-2H-furan-2,3-dicarboxylate
CID 15367225
Diethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate
CID 15367226
Ditert-butyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate
CID 15367227
2-Ethyl 3,4-diethyl 4-bromo-4,5-dihydro-2,3,4-furantri-carboxylate
CID 129709436
Trimethyl 7-oxabicyclo[2.2.1]hepta-2,5-diene-1,2,3-tricarboxylate
CID 101408129
Methyl 4,5-dimethyl-2-oxo-5-(propan-2-yloxymethyl)furan-3-carboxylate
CID 134907668
3-Acetyl-4,5-dimethyl-5-(propan-2-yloxymethyl)furan-2-one
CID 134975814
Methyl 5-(ethoxymethyl)-4,5-dimethyl-2-oxofuran-3-carboxylate
CID 134976088
6-O,6-O'-diethyl 7-O-methyl (3aR)-3a-methyl-3,4-dihydro-1H-furo[3,4-c]pyran-6,6,7-tricarboxylate
CID 135055818
2-Furanacetic acid, 2,5-dihydro-2-(methoxycarbonyl)-3,4-dimethyl-5-oxo-, methyl ester
CID 587981

Frequently Asked Questions

What is the IUPAC name of diethyl 4,5,5-trimethyl-2H-furan-2,3-dicarboxylate?
The IUPAC name of diethyl 4,5,5-trimethyl-2H-furan-2,3-dicarboxylate (CID 15367224) is diethyl 4,5,5-trimethyl-2H-furan-2,3-dicarboxylate.
What is the SMILES notation for diethyl 4,5,5-trimethyl-2H-furan-2,3-dicarboxylate?
The canonical SMILES for diethyl 4,5,5-trimethyl-2H-furan-2,3-dicarboxylate is CCOC(=O)C1=C(C)C(C)(C)OC1C(=O)OCC.
What is the InChIKey of diethyl 4,5,5-trimethyl-2H-furan-2,3-dicarboxylate?
The InChIKey is KTOMALVEXALBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O5/c1-6-16-11(14)9-8(3)13(4,5)18-10(9)12(15)17-7-2/h10H,6-7H2,1-5H3.
What are the key properties of diethyl 4,5,5-trimethyl-2H-furan-2,3-dicarboxylate?
diethyl 4,5,5-trimethyl-2H-furan-2,3-dicarboxylate has a molecular weight of 256.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4,5,5-trimethyl-2H-furan-2,3-dicarboxylate is sourced from PubChem (CID 15367224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).