4-ethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one

C8H10O4 — CID 20657039

IUPAC4-ethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
SMILESCCC1OC=CC2OC(=O)OC21
InChIInChI=1S/C8H10O4/c1-2-5-7-6(3-4-10-5)11-8(9)12-7/h3-7H,2H2,1H3
InChIKeyRSIYKPKQWHIMCZ-UHFFFAOYSA-N
MW170.16 g/mol
LogP1.21
Rot. Bonds1

About 4-ethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one

4-ethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one (PubChem CID 20657039) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 4-ethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one.

Molecular Properties

Compound Name4-ethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
PubChem CID20657039
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name4-ethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
SMILESCCC1OC=CC2OC(=O)OC21
InChIInChI=1S/C8H10O4/c1-2-5-7-6(3-4-10-5)11-8(9)12-7/h3-7H,2H2,1H3
InChIKeyRSIYKPKQWHIMCZ-UHFFFAOYSA-N
XLogP1.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?
The IUPAC name of 4-ethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one (CID 20657039) is 4-ethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one.
What is the SMILES notation for 4-ethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?
The canonical SMILES for 4-ethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one is CCC1OC=CC2OC(=O)OC21.
What is the InChIKey of 4-ethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?
The InChIKey is RSIYKPKQWHIMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-2-5-7-6(3-4-10-5)11-8(9)12-7/h3-7H,2H2,1H3.
What are the key properties of 4-ethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?
4-ethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one has a molecular weight of 170.16 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one is sourced from PubChem (CID 20657039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).