ethyl (2E)-4-cyclopropyl-2-(2-ethoxy-2-oxoethylidene)-3,4-dihydropyran-6-carboxylate

C15H20O5 — CID 56851327

IUPACethyl (2E)-4-cyclopropyl-2-(2-ethoxy-2-oxoethylidene)-3,4-dihydropyran-6-carboxylate
SMILESCCOC(=O)/C=C1\CC(C2CC2)C=C(C(=O)OCC)O1
InChIInChI=1S/C15H20O5/c1-3-18-14(16)9-12-7-11(10-5-6-10)8-13(20-12)15(17)19-4-2/h8-11H,3-7H2,1-2H3/b12-9+
InChIKeyUVQMPFXEQNYGFN-FMIVXFBMSA-N
MW280.32 g/mol
LogP2.33
Rot. Bonds5

About ethyl (2E)-4-cyclopropyl-2-(2-ethoxy-2-oxoethylidene)-3,4-dihydropyran-6-carboxylate

ethyl (2E)-4-cyclopropyl-2-(2-ethoxy-2-oxoethylidene)-3,4-dihydropyran-6-carboxylate (PubChem CID 56851327) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl (2E)-4-cyclopropyl-2-(2-ethoxy-2-oxoethylidene)-3,4-dihydropyran-6-carboxylate.

Molecular Properties

Compound Nameethyl (2E)-4-cyclopropyl-2-(2-ethoxy-2-oxoethylidene)-3,4-dihydropyran-6-carboxylate
PubChem CID56851327
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Nameethyl (2E)-4-cyclopropyl-2-(2-ethoxy-2-oxoethylidene)-3,4-dihydropyran-6-carboxylate
SMILESCCOC(=O)/C=C1\CC(C2CC2)C=C(C(=O)OCC)O1
InChIInChI=1S/C15H20O5/c1-3-18-14(16)9-12-7-11(10-5-6-10)8-13(20-12)15(17)19-4-2/h8-11H,3-7H2,1-2H3/b12-9+
InChIKeyUVQMPFXEQNYGFN-FMIVXFBMSA-N
XLogP2.33
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-4-cyclopropyl-2-(2-ethoxy-2-oxoethylidene)-3,4-dihydropyran-6-carboxylate?
The IUPAC name of ethyl (2E)-4-cyclopropyl-2-(2-ethoxy-2-oxoethylidene)-3,4-dihydropyran-6-carboxylate (CID 56851327) is ethyl (2E)-4-cyclopropyl-2-(2-ethoxy-2-oxoethylidene)-3,4-dihydropyran-6-carboxylate.
What is the SMILES notation for ethyl (2E)-4-cyclopropyl-2-(2-ethoxy-2-oxoethylidene)-3,4-dihydropyran-6-carboxylate?
The canonical SMILES for ethyl (2E)-4-cyclopropyl-2-(2-ethoxy-2-oxoethylidene)-3,4-dihydropyran-6-carboxylate is CCOC(=O)/C=C1\CC(C2CC2)C=C(C(=O)OCC)O1.
What is the InChIKey of ethyl (2E)-4-cyclopropyl-2-(2-ethoxy-2-oxoethylidene)-3,4-dihydropyran-6-carboxylate?
The InChIKey is UVQMPFXEQNYGFN-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H20O5/c1-3-18-14(16)9-12-7-11(10-5-6-10)8-13(20-12)15(17)19-4-2/h8-11H,3-7H2,1-2H3/b12-9+.
What are the key properties of ethyl (2E)-4-cyclopropyl-2-(2-ethoxy-2-oxoethylidene)-3,4-dihydropyran-6-carboxylate?
ethyl (2E)-4-cyclopropyl-2-(2-ethoxy-2-oxoethylidene)-3,4-dihydropyran-6-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-4-cyclopropyl-2-(2-ethoxy-2-oxoethylidene)-3,4-dihydropyran-6-carboxylate is sourced from PubChem (CID 56851327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).