ethyl 2-methoxy-5-methyl-3-(3-methylbutanoyl)-2,3-dihydrofuran-4-carboxylate

C14H22O5 — CID 69242481

IUPACethyl 2-methoxy-5-methyl-3-(3-methylbutanoyl)-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(OC)C1C(=O)CC(C)C
InChIInChI=1S/C14H22O5/c1-6-18-13(16)11-9(4)19-14(17-5)12(11)10(15)7-8(2)3/h8,12,14H,6-7H2,1-5H3
InChIKeyCMIKNBZVAHTMDS-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.06
Rot. Bonds6

About ethyl 2-methoxy-5-methyl-3-(3-methylbutanoyl)-2,3-dihydrofuran-4-carboxylate

ethyl 2-methoxy-5-methyl-3-(3-methylbutanoyl)-2,3-dihydrofuran-4-carboxylate (PubChem CID 69242481) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is ethyl 2-methoxy-5-methyl-3-(3-methylbutanoyl)-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methoxy-5-methyl-3-(3-methylbutanoyl)-2,3-dihydrofuran-4-carboxylate
PubChem CID69242481
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Nameethyl 2-methoxy-5-methyl-3-(3-methylbutanoyl)-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(OC)C1C(=O)CC(C)C
InChIInChI=1S/C14H22O5/c1-6-18-13(16)11-9(4)19-14(17-5)12(11)10(15)7-8(2)3/h8,12,14H,6-7H2,1-5H3
InChIKeyCMIKNBZVAHTMDS-UHFFFAOYSA-N
XLogP2.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-methoxy-5-methyl-3-(3-methylbutanoyl)-2,3-dihydrofuran-4-carboxylate 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 ethyl 2-methoxy-5-methyl-3-(3-methylbutanoyl)-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 2-methoxy-5-methyl-3-(3-methylbutanoyl)-2,3-dihydrofuran-4-carboxylate (CID 69242481) is ethyl 2-methoxy-5-methyl-3-(3-methylbutanoyl)-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 2-methoxy-5-methyl-3-(3-methylbutanoyl)-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 2-methoxy-5-methyl-3-(3-methylbutanoyl)-2,3-dihydrofuran-4-carboxylate is CCOC(=O)C1=C(C)OC(OC)C1C(=O)CC(C)C.
What is the InChIKey of ethyl 2-methoxy-5-methyl-3-(3-methylbutanoyl)-2,3-dihydrofuran-4-carboxylate?
The InChIKey is CMIKNBZVAHTMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-6-18-13(16)11-9(4)19-14(17-5)12(11)10(15)7-8(2)3/h8,12,14H,6-7H2,1-5H3.
What are the key properties of ethyl 2-methoxy-5-methyl-3-(3-methylbutanoyl)-2,3-dihydrofuran-4-carboxylate?
ethyl 2-methoxy-5-methyl-3-(3-methylbutanoyl)-2,3-dihydrofuran-4-carboxylate has a molecular weight of 270.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-5-methyl-3-(3-methylbutanoyl)-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 69242481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).