6-ethyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione

C8H10O4 — CID 70621972

IUPAC6-ethyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione
SMILESCCC1OC(=O)C2CC(=O)OC12
InChIInChI=1S/C8H10O4/c1-2-5-7-4(8(10)11-5)3-6(9)12-7/h4-5,7H,2-3H2,1H3
InChIKeyMSRHPHJOKAJBOI-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.25
Rot. Bonds1

About 6-ethyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione

6-ethyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione (PubChem CID 70621972) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 6-ethyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione.

Molecular Properties

Compound Name6-ethyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione
PubChem CID70621972
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name6-ethyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione
SMILESCCC1OC(=O)C2CC(=O)OC12
InChIInChI=1S/C8H10O4/c1-2-5-7-4(8(10)11-5)3-6(9)12-7/h4-5,7H,2-3H2,1H3
InChIKeyMSRHPHJOKAJBOI-UHFFFAOYSA-N
XLogP0.25
TPSA52.60 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 ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione?
The IUPAC name of 6-ethyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione (CID 70621972) is 6-ethyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione.
What is the SMILES notation for 6-ethyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione?
The canonical SMILES for 6-ethyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione is CCC1OC(=O)C2CC(=O)OC12.
What is the InChIKey of 6-ethyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione?
The InChIKey is MSRHPHJOKAJBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-2-5-7-4(8(10)11-5)3-6(9)12-7/h4-5,7H,2-3H2,1H3.
What are the key properties of 6-ethyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione?
6-ethyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione has a molecular weight of 170.16 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione is sourced from PubChem (CID 70621972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).