2-ethoxy-5-ethyl-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran

C11H20O4 — CID 3904726

IUPAC2-ethoxy-5-ethyl-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
SMILESCCOC1(C)OC2CCC(CC)OC2O1
InChIInChI=1S/C11H20O4/c1-4-8-6-7-9-10(13-8)15-11(3,14-9)12-5-2/h8-10H,4-7H2,1-3H3
InChIKeyDAZPUNPPZZPTGQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.03
Rot. Bonds3

About 2-ethoxy-5-ethyl-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran

2-ethoxy-5-ethyl-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran (PubChem CID 3904726) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-ethoxy-5-ethyl-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran.

Molecular Properties

Compound Name2-ethoxy-5-ethyl-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
PubChem CID3904726
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-ethoxy-5-ethyl-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
SMILESCCOC1(C)OC2CCC(CC)OC2O1
InChIInChI=1S/C11H20O4/c1-4-8-6-7-9-10(13-8)15-11(3,14-9)12-5-2/h8-10H,4-7H2,1-3H3
InChIKeyDAZPUNPPZZPTGQ-UHFFFAOYSA-N
XLogP2.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-ethyl-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran?
The IUPAC name of 2-ethoxy-5-ethyl-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran (CID 3904726) is 2-ethoxy-5-ethyl-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran.
What is the SMILES notation for 2-ethoxy-5-ethyl-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran?
The canonical SMILES for 2-ethoxy-5-ethyl-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran is CCOC1(C)OC2CCC(CC)OC2O1.
What is the InChIKey of 2-ethoxy-5-ethyl-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran?
The InChIKey is DAZPUNPPZZPTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-8-6-7-9-10(13-8)15-11(3,14-9)12-5-2/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-ethoxy-5-ethyl-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran?
2-ethoxy-5-ethyl-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran has a molecular weight of 216.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-ethyl-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran is sourced from PubChem (CID 3904726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).