dimethyl 2-ethyl-2,3-dihydrofuran-4,5-dicarboxylate

C10H14O5 — CID 131853922

IUPACdimethyl 2-ethyl-2,3-dihydrofuran-4,5-dicarboxylate
SMILESCCC1CC(C(=O)OC)=C(C(=O)OC)O1
InChIInChI=1S/C10H14O5/c1-4-6-5-7(9(11)13-2)8(15-6)10(12)14-3/h6H,4-5H2,1-3H3
InChIKeyKJUIPJUODLKVTP-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.79
Rot. Bonds3

About dimethyl 2-ethyl-2,3-dihydrofuran-4,5-dicarboxylate

dimethyl 2-ethyl-2,3-dihydrofuran-4,5-dicarboxylate (PubChem CID 131853922) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is dimethyl 2-ethyl-2,3-dihydrofuran-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-ethyl-2,3-dihydrofuran-4,5-dicarboxylate
PubChem CID131853922
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namedimethyl 2-ethyl-2,3-dihydrofuran-4,5-dicarboxylate
SMILESCCC1CC(C(=O)OC)=C(C(=O)OC)O1
InChIInChI=1S/C10H14O5/c1-4-6-5-7(9(11)13-2)8(15-6)10(12)14-3/h6H,4-5H2,1-3H3
InChIKeyKJUIPJUODLKVTP-UHFFFAOYSA-N
XLogP0.79
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Furancarboxylic acid, 5-ethyl-4,5-dihydro-2-methyl-, ethyl ester
CID 113476
4R-Talactone B
CID 156580704
4S-Talactone B
CID 156580705
Ethyl 4,5-dihydro-2,5-dimethyl-4-oxo-3-furancarboxylate
CID 12412763
[5-(2-Acetyloxyacetyl)-3,6-dimethyl-4-oxopyran-2-yl]methyl acetate
CID 102131821
Methyl 2,5-dimethyl-4-oxofuran-3-carboxylate
CID 154353531
2,4-Di(ethoxycarbonyl)-5-methyl-2,3-dihydrofuran
CID 12647624
4-Acetyl-2-ethoxycarbonyl-5-methyl-2,3-dihydrofuran
CID 13696347
(3As,6as)-2,5-dimethyl-3a,6a-dihydro-furo[3,2-b]furan-3,6-dicarboxylic acid dimethyl ester
CID 129828042
(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

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-ethyl-2,3-dihydrofuran-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-ethyl-2,3-dihydrofuran-4,5-dicarboxylate (CID 131853922) is dimethyl 2-ethyl-2,3-dihydrofuran-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-ethyl-2,3-dihydrofuran-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-ethyl-2,3-dihydrofuran-4,5-dicarboxylate is CCC1CC(C(=O)OC)=C(C(=O)OC)O1.
What is the InChIKey of dimethyl 2-ethyl-2,3-dihydrofuran-4,5-dicarboxylate?
The InChIKey is KJUIPJUODLKVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-4-6-5-7(9(11)13-2)8(15-6)10(12)14-3/h6H,4-5H2,1-3H3.
What are the key properties of dimethyl 2-ethyl-2,3-dihydrofuran-4,5-dicarboxylate?
dimethyl 2-ethyl-2,3-dihydrofuran-4,5-dicarboxylate has a molecular weight of 214.22 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-ethyl-2,3-dihydrofuran-4,5-dicarboxylate is sourced from PubChem (CID 131853922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).