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

C13H18O5 — CID 10848531

IUPACdiethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate
SMILESC=C(C)C1CC(C(=O)OCC)=C(C(=O)OCC)O1
InChIInChI=1S/C13H18O5/c1-5-16-12(14)9-7-10(8(3)4)18-11(9)13(15)17-6-2/h10H,3,5-7H2,1-2,4H3
InChIKeyXFKAYTOQECIMPQ-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.73
Rot. Bonds5

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

diethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate (PubChem CID 10848531) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is diethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate
PubChem CID10848531
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Namediethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate
SMILESC=C(C)C1CC(C(=O)OCC)=C(C(=O)OCC)O1
InChIInChI=1S/C13H18O5/c1-5-16-12(14)9-7-10(8(3)4)18-11(9)13(15)17-6-2/h10H,3,5-7H2,1-2,4H3
InChIKeyXFKAYTOQECIMPQ-UHFFFAOYSA-N
XLogP1.73
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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
diethyl (E)-2-but-3-enyl-3-methoxybut-2-enedioate
CID 14183977
[(2R)-2-(2-methyl-6-oxocyclohexen-1-yl)oxybut-3-enyl] acetate
CID 101049560
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 diethyl ester
CID 129828077
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

Frequently Asked Questions

What is the IUPAC name of diethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate?
The IUPAC name of diethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate (CID 10848531) is diethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate.
What is the SMILES notation for diethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate?
The canonical SMILES for diethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate is C=C(C)C1CC(C(=O)OCC)=C(C(=O)OCC)O1.
What is the InChIKey of diethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate?
The InChIKey is XFKAYTOQECIMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-5-16-12(14)9-7-10(8(3)4)18-11(9)13(15)17-6-2/h10H,3,5-7H2,1-2,4H3.
What are the key properties of diethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate?
diethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate has a molecular weight of 254.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate is sourced from PubChem (CID 10848531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).