6-ethoxy-7-ethyl-1,6,7,7a-tetrahydrofuro[3,4-c]pyran-3-one

C11H16O4 — CID 74223351

IUPAC6-ethoxy-7-ethyl-1,6,7,7a-tetrahydrofuro[3,4-c]pyran-3-one
SMILESCCOC1OC=C2C(=O)OCC2C1CC
InChIInChI=1S/C11H16O4/c1-3-7-8-5-14-10(12)9(8)6-15-11(7)13-4-2/h6-8,11H,3-5H2,1-2H3
InChIKeyHOQAHUQBZXBEIF-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.46
Rot. Bonds3

About 6-ethoxy-7-ethyl-1,6,7,7a-tetrahydrofuro[3,4-c]pyran-3-one

6-ethoxy-7-ethyl-1,6,7,7a-tetrahydrofuro[3,4-c]pyran-3-one (PubChem CID 74223351) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 6-ethoxy-7-ethyl-1,6,7,7a-tetrahydrofuro[3,4-c]pyran-3-one.

Molecular Properties

Compound Name6-ethoxy-7-ethyl-1,6,7,7a-tetrahydrofuro[3,4-c]pyran-3-one
PubChem CID74223351
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name6-ethoxy-7-ethyl-1,6,7,7a-tetrahydrofuro[3,4-c]pyran-3-one
SMILESCCOC1OC=C2C(=O)OCC2C1CC
InChIInChI=1S/C11H16O4/c1-3-7-8-5-14-10(12)9(8)6-15-11(7)13-4-2/h6-8,11H,3-5H2,1-2H3
InChIKeyHOQAHUQBZXBEIF-UHFFFAOYSA-N
XLogP1.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-ethoxy-7-ethyl-1,6,7,7a-tetrahydrofuro[3,4-c]pyran-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-7-ethyl-1,6,7,7a-tetrahydrofuro[3,4-c]pyran-3-one?
The IUPAC name of 6-ethoxy-7-ethyl-1,6,7,7a-tetrahydrofuro[3,4-c]pyran-3-one (CID 74223351) is 6-ethoxy-7-ethyl-1,6,7,7a-tetrahydrofuro[3,4-c]pyran-3-one.
What is the SMILES notation for 6-ethoxy-7-ethyl-1,6,7,7a-tetrahydrofuro[3,4-c]pyran-3-one?
The canonical SMILES for 6-ethoxy-7-ethyl-1,6,7,7a-tetrahydrofuro[3,4-c]pyran-3-one is CCOC1OC=C2C(=O)OCC2C1CC.
What is the InChIKey of 6-ethoxy-7-ethyl-1,6,7,7a-tetrahydrofuro[3,4-c]pyran-3-one?
The InChIKey is HOQAHUQBZXBEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-3-7-8-5-14-10(12)9(8)6-15-11(7)13-4-2/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 6-ethoxy-7-ethyl-1,6,7,7a-tetrahydrofuro[3,4-c]pyran-3-one?
6-ethoxy-7-ethyl-1,6,7,7a-tetrahydrofuro[3,4-c]pyran-3-one has a molecular weight of 212.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-7-ethyl-1,6,7,7a-tetrahydrofuro[3,4-c]pyran-3-one is sourced from PubChem (CID 74223351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).