4-ethoxy-1,6-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazole

C10H19NO3 — CID 67771275

IUPAC4-ethoxy-1,6-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazole
SMILESCCOC1OC(C)CC2C1OCN2C
InChIInChI=1S/C10H19NO3/c1-4-12-10-9-8(5-7(2)14-10)11(3)6-13-9/h7-10H,4-6H2,1-3H3
InChIKeyIHGDJDYCXYAPRT-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.81
Rot. Bonds2

About 4-ethoxy-1,6-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazole

4-ethoxy-1,6-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazole (PubChem CID 67771275) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-ethoxy-1,6-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazole.

Molecular Properties

Compound Name4-ethoxy-1,6-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazole
PubChem CID67771275
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-ethoxy-1,6-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazole
SMILESCCOC1OC(C)CC2C1OCN2C
InChIInChI=1S/C10H19NO3/c1-4-12-10-9-8(5-7(2)14-10)11(3)6-13-9/h7-10H,4-6H2,1-3H3
InChIKeyIHGDJDYCXYAPRT-UHFFFAOYSA-N
XLogP0.81
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-ethoxy-1,6-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazole 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 4-ethoxy-1,6-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazole?
The IUPAC name of 4-ethoxy-1,6-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazole (CID 67771275) is 4-ethoxy-1,6-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazole.
What is the SMILES notation for 4-ethoxy-1,6-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazole?
The canonical SMILES for 4-ethoxy-1,6-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazole is CCOC1OC(C)CC2C1OCN2C.
What is the InChIKey of 4-ethoxy-1,6-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazole?
The InChIKey is IHGDJDYCXYAPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-12-10-9-8(5-7(2)14-10)11(3)6-13-9/h7-10H,4-6H2,1-3H3.
What are the key properties of 4-ethoxy-1,6-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazole?
4-ethoxy-1,6-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazole has a molecular weight of 201.27 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1,6-dimethyl-2,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazole is sourced from PubChem (CID 67771275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).