ethyl 2-ethyl-3-methylidene-5-oxooxolane-2-carboxylate

C10H14O4 — CID 102240656

IUPACethyl 2-ethyl-3-methylidene-5-oxooxolane-2-carboxylate
SMILESC=C1CC(=O)OC1(CC)C(=O)OCC
InChIInChI=1S/C10H14O4/c1-4-10(9(12)13-5-2)7(3)6-8(11)14-10/h3-6H2,1-2H3
InChIKeyJHKFJZCKMMZIJJ-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.20
Rot. Bonds3

About ethyl 2-ethyl-3-methylidene-5-oxooxolane-2-carboxylate

ethyl 2-ethyl-3-methylidene-5-oxooxolane-2-carboxylate (PubChem CID 102240656) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is ethyl 2-ethyl-3-methylidene-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-3-methylidene-5-oxooxolane-2-carboxylate
PubChem CID102240656
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Nameethyl 2-ethyl-3-methylidene-5-oxooxolane-2-carboxylate
SMILESC=C1CC(=O)OC1(CC)C(=O)OCC
InChIInChI=1S/C10H14O4/c1-4-10(9(12)13-5-2)7(3)6-8(11)14-10/h3-6H2,1-2H3
InChIKeyJHKFJZCKMMZIJJ-UHFFFAOYSA-N
XLogP1.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-methylidene-5-oxo-2-propan-2-yloxolane-2-carboxylate
CID 102240659
ethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate
CID 163095762
diethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate
CID 143831911
ethyl 1-(bromomethyl)-4-methylidenecyclohexane-1-carboxylate
CID 10015501
ethyl 3-oxobicyclo[2.2.2]octane-1-carboxylate
CID 130611711
diethyl 6-oxooxane-3,3-dicarboxylate
CID 172560862
ethyl (3aS,7aS)-2-oxo-7a-prop-2-enyl-4,5,6,7-tetrahydro-3H-1-benzofuran-3a-carboxylate
CID 71725973
ethyl 3-(2-bicyclo[2.2.1]heptanylmethylidene)-2-ethyloxirane-2-carboxylate
CID 88744349
ethyl (3aR,6aR)-3-methylidene-4-oxo-2,5,6,6a-tetrahydro-1H-pentalene-3a-carboxylate
CID 15358060
ethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate
CID 58405373
ethyl 2-ethyl-1-oxaspiro[2.2]pentane-2-carboxylate
CID 15207484
ethyl 3-methylidene-2-oxo-4,5,6,7,8,8a-hexahydrochromene-4a-carboxylate
CID 72833340

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-3-methylidene-5-oxooxolane-2-carboxylate?
The IUPAC name of ethyl 2-ethyl-3-methylidene-5-oxooxolane-2-carboxylate (CID 102240656) is ethyl 2-ethyl-3-methylidene-5-oxooxolane-2-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-3-methylidene-5-oxooxolane-2-carboxylate?
The canonical SMILES for ethyl 2-ethyl-3-methylidene-5-oxooxolane-2-carboxylate is C=C1CC(=O)OC1(CC)C(=O)OCC.
What is the InChIKey of ethyl 2-ethyl-3-methylidene-5-oxooxolane-2-carboxylate?
The InChIKey is JHKFJZCKMMZIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-4-10(9(12)13-5-2)7(3)6-8(11)14-10/h3-6H2,1-2H3.
What are the key properties of ethyl 2-ethyl-3-methylidene-5-oxooxolane-2-carboxylate?
ethyl 2-ethyl-3-methylidene-5-oxooxolane-2-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-3-methylidene-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 102240656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).