ethyl 5-formyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate

C11H14O4 — CID 10608504

IUPACethyl 5-formyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
SMILESC=C(C)C1CC(C(=O)OCC)=C(C=O)O1
InChIInChI=1S/C11H14O4/c1-4-14-11(13)8-5-9(7(2)3)15-10(8)6-12/h6,9H,2,4-5H2,1,3H3
InChIKeyLBEPARXTZRACOK-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.37
Rot. Bonds4

About ethyl 5-formyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate

ethyl 5-formyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate (PubChem CID 10608504) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 5-formyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-formyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
PubChem CID10608504
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Nameethyl 5-formyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
SMILESC=C(C)C1CC(C(=O)OCC)=C(C=O)O1
InChIInChI=1S/C11H14O4/c1-4-14-11(13)8-5-9(7(2)3)15-10(8)6-12/h6,9H,2,4-5H2,1,3H3
InChIKeyLBEPARXTZRACOK-UHFFFAOYSA-N
XLogP1.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl 5-formyl-2-prop-1-en-2-yl-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

Related Compounds

3-Furancarboxylic acid, 5-ethyl-4,5-dihydro-2-methyl-, ethyl ester
CID 113476
Ethyl 2-acetyl-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 100987642
Ethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
CID 14113980
Propan-2-yl 2-ethyl-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 20191511
Propyl 2-ethyl-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 20191514
4-Carbethoxy-2-ethyl-5-pentyl-2,3-dihydrofuran
CID 20191515
4-Carbethoxy-5-pentyl-2-vinyl-2,3-dihydrofuran
CID 20191518
Ethyl 5-methyl-2-prop-2-enyl-2,3-dihydrofuran-4-carboxylate
CID 20191531
Methyl 2-ethyl-5-pentyl-2,3-dihydrofuran-4-carboxylate
CID 20191532
Ethyl 2-ethyl-5-(4-methylpent-3-enyl)-2,3-dihydrofuran-4-carboxylate
CID 20191538
Butyl 2-ethyl-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 20191541
Methyl 2,5-diethyl-2,3-dihydrofuran-4-carboxylate
CID 20191548

Frequently Asked Questions

What is the IUPAC name of ethyl 5-formyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 5-formyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate (CID 10608504) is ethyl 5-formyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 5-formyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 5-formyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate is C=C(C)C1CC(C(=O)OCC)=C(C=O)O1.
What is the InChIKey of ethyl 5-formyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is LBEPARXTZRACOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-4-14-11(13)8-5-9(7(2)3)15-10(8)6-12/h6,9H,2,4-5H2,1,3H3.
What are the key properties of ethyl 5-formyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
ethyl 5-formyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-formyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 10608504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).