methyl 2-ethenyl-5-(2-methoxy-2-oxoethyl)-2,3-dihydrofuran-4-carboxylate

C11H14O5 — CID 14956101

IUPACmethyl 2-ethenyl-5-(2-methoxy-2-oxoethyl)-2,3-dihydrofuran-4-carboxylate
SMILESC=CC1CC(C(=O)OC)=C(CC(=O)OC)O1
InChIInChI=1S/C11H14O5/c1-4-7-5-8(11(13)15-3)9(16-7)6-10(12)14-2/h4,7H,1,5-6H2,2-3H3
InChIKeyPIQIRBXLIGBCRD-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.95
Rot. Bonds4

About methyl 2-ethenyl-5-(2-methoxy-2-oxoethyl)-2,3-dihydrofuran-4-carboxylate

methyl 2-ethenyl-5-(2-methoxy-2-oxoethyl)-2,3-dihydrofuran-4-carboxylate (PubChem CID 14956101) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 2-ethenyl-5-(2-methoxy-2-oxoethyl)-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethenyl-5-(2-methoxy-2-oxoethyl)-2,3-dihydrofuran-4-carboxylate
PubChem CID14956101
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Namemethyl 2-ethenyl-5-(2-methoxy-2-oxoethyl)-2,3-dihydrofuran-4-carboxylate
SMILESC=CC1CC(C(=O)OC)=C(CC(=O)OC)O1
InChIInChI=1S/C11H14O5/c1-4-7-5-8(11(13)15-3)9(16-7)6-10(12)14-2/h4,7H,1,5-6H2,2-3H3
InChIKeyPIQIRBXLIGBCRD-UHFFFAOYSA-N
XLogP0.95
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-ethenyl-5-(2-methoxy-2-oxoethyl)-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

4-Carboxylatomethyl-3-methylbut-2-en-1,4-olide(1-)
CID 25203332
Piterrione E
CID 170989537
Piterrione F
CID 170989538
2-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]acetate
CID 122706594
methyl 2-(3-methoxy-5-oxo-2H-furan-2-yl)acetate
CID 15263494
3-Furancarboxylic acid, 5-ethenyl-4,5-dihydro-2-methyl-, methyl ester
CID 11829832
Ethyl 5-ethenyl-2-methyl-4,5-dihydrofuran-3-carboxylate
CID 12573427
3-Ethylidene-5-(prop-1-en-1-yl)oxolan-2-one
CID 53893902
Dimethyl 5-methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CID 69168247
methyl (3aR,7aR)-2-(2-methoxy-2-oxoethyl)-3a,4,5,7a-tetrahydro-1-benzofuran-3-carboxylate
CID 10060747
ethyl (2Z)-2-ethylidene-5-methyl-3H-furan-4-carboxylate
CID 10856120
3-Ethylidene-5-(propen-1-yl)-tertahydrofuran-2-one
CID 12296580

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethenyl-5-(2-methoxy-2-oxoethyl)-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of methyl 2-ethenyl-5-(2-methoxy-2-oxoethyl)-2,3-dihydrofuran-4-carboxylate (CID 14956101) is methyl 2-ethenyl-5-(2-methoxy-2-oxoethyl)-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for methyl 2-ethenyl-5-(2-methoxy-2-oxoethyl)-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for methyl 2-ethenyl-5-(2-methoxy-2-oxoethyl)-2,3-dihydrofuran-4-carboxylate is C=CC1CC(C(=O)OC)=C(CC(=O)OC)O1.
What is the InChIKey of methyl 2-ethenyl-5-(2-methoxy-2-oxoethyl)-2,3-dihydrofuran-4-carboxylate?
The InChIKey is PIQIRBXLIGBCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-4-7-5-8(11(13)15-3)9(16-7)6-10(12)14-2/h4,7H,1,5-6H2,2-3H3.
What are the key properties of methyl 2-ethenyl-5-(2-methoxy-2-oxoethyl)-2,3-dihydrofuran-4-carboxylate?
methyl 2-ethenyl-5-(2-methoxy-2-oxoethyl)-2,3-dihydrofuran-4-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethenyl-5-(2-methoxy-2-oxoethyl)-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 14956101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).