ethyl 4-methyl-2-[(E)-pent-1-enyl]furan-3-carboxylate

C13H18O3 — CID 11974977

IUPACethyl 4-methyl-2-[(E)-pent-1-enyl]furan-3-carboxylate
SMILESCCC/C=C/c1occ(C)c1C(=O)OCC
InChIInChI=1S/C13H18O3/c1-4-6-7-8-11-12(10(3)9-16-11)13(14)15-5-2/h7-9H,4-6H2,1-3H3/b8-7+
InChIKeyZDWXYODGBZTCCQ-BQYQJAHWSA-N
MW222.28 g/mol
LogP3.58
Rot. Bonds5

About ethyl 4-methyl-2-[(E)-pent-1-enyl]furan-3-carboxylate

ethyl 4-methyl-2-[(E)-pent-1-enyl]furan-3-carboxylate (PubChem CID 11974977) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(E)-pent-1-enyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(E)-pent-1-enyl]furan-3-carboxylate
PubChem CID11974977
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Nameethyl 4-methyl-2-[(E)-pent-1-enyl]furan-3-carboxylate
SMILESCCC/C=C/c1occ(C)c1C(=O)OCC
InChIInChI=1S/C13H18O3/c1-4-6-7-8-11-12(10(3)9-16-11)13(14)15-5-2/h7-9H,4-6H2,1-3H3/b8-7+
InChIKeyZDWXYODGBZTCCQ-BQYQJAHWSA-N
XLogP3.58
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 4-methyl-2-[(E)-pent-1-enyl]furan-3-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 4-methyl-2-[(E)-pent-1-enyl]furan-3-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(E)-pent-1-enyl]furan-3-carboxylate (CID 11974977) is ethyl 4-methyl-2-[(E)-pent-1-enyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(E)-pent-1-enyl]furan-3-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(E)-pent-1-enyl]furan-3-carboxylate is CCC/C=C/c1occ(C)c1C(=O)OCC.
What is the InChIKey of ethyl 4-methyl-2-[(E)-pent-1-enyl]furan-3-carboxylate?
The InChIKey is ZDWXYODGBZTCCQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-6-7-8-11-12(10(3)9-16-11)13(14)15-5-2/h7-9H,4-6H2,1-3H3/b8-7+.
What are the key properties of ethyl 4-methyl-2-[(E)-pent-1-enyl]furan-3-carboxylate?
ethyl 4-methyl-2-[(E)-pent-1-enyl]furan-3-carboxylate has a molecular weight of 222.28 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(E)-pent-1-enyl]furan-3-carboxylate is sourced from PubChem (CID 11974977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).