dimethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate

C11H14O5 — CID 10489417

IUPACdimethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate
SMILESC=C(C)C1CC(C(=O)OC)=C(C(=O)OC)O1
InChIInChI=1S/C11H14O5/c1-6(2)8-5-7(10(12)14-3)9(16-8)11(13)15-4/h8H,1,5H2,2-4H3
InChIKeyJVWGNRCBJOGTQX-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.95
Rot. Bonds3

About dimethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate

dimethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate (PubChem CID 10489417) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is dimethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate
PubChem CID10489417
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Namedimethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate
SMILESC=C(C)C1CC(C(=O)OC)=C(C(=O)OC)O1
InChIInChI=1S/C11H14O5/c1-6(2)8-5-7(10(12)14-3)9(16-8)11(13)15-4/h8H,1,5H2,2-4H3
InChIKeyJVWGNRCBJOGTQX-UHFFFAOYSA-N
XLogP0.95
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
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 dimethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate 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
[5-(2-Acetyloxyacetyl)-3,6-dimethyl-4-oxopyran-2-yl]methyl acetate
CID 102131821
2,4-Di(ethoxycarbonyl)-5-methyl-2,3-dihydrofuran
CID 12647624
4-Allyloxycarbonyl-2-ethoxycarbonyl-5-methyl-2,3-dihydrofuran
CID 129797752
(3As,6as)-2,5-dimethyl-3a,6a-dihydro-furo[3,2-b]furan-3,6-dicarboxylic acid dimethyl ester
CID 129828042
2-prop-1-en-2-yl-3,6-dihydro-2H-furo[2,3-c]furan-4-one
CID 11607976
6,6-Dimethyl-2-prop-1-en-2-yl-2,3-dihydrofuro[3,4-b]furan-4-one
CID 11679979
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

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate (CID 10489417) is dimethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate is C=C(C)C1CC(C(=O)OC)=C(C(=O)OC)O1.
What is the InChIKey of dimethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate?
The InChIKey is JVWGNRCBJOGTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-6(2)8-5-7(10(12)14-3)9(16-8)11(13)15-4/h8H,1,5H2,2-4H3.
What are the key properties of dimethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate?
dimethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate has a molecular weight of 226.23 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate is sourced from PubChem (CID 10489417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).