3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione

C7H8O3 — CID 543141

IUPAC3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione
SMILESO=C1CC2COC(=O)C2C1
InChIInChI=1S/C7H8O3/c8-5-1-4-3-10-7(9)6(4)2-5/h4,6H,1-3H2
InChIKeyCZBRZSXUKXNIET-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.14
Rot. Bonds

About 3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione

3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione (PubChem CID 543141) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione.

Molecular Properties

Compound Name3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione
PubChem CID543141
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione
SMILESO=C1CC2COC(=O)C2C1
InChIInChI=1S/C7H8O3/c8-5-1-4-3-10-7(9)6(4)2-5/h4,6H,1-3H2
InChIKeyCZBRZSXUKXNIET-UHFFFAOYSA-N
XLogP0.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione?
The IUPAC name of 3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione (CID 543141) is 3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione.
What is the SMILES notation for 3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione?
The canonical SMILES for 3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione is O=C1CC2COC(=O)C2C1.
What is the InChIKey of 3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione?
The InChIKey is CZBRZSXUKXNIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c8-5-1-4-3-10-7(9)6(4)2-5/h4,6H,1-3H2.
What are the key properties of 3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione?
3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione has a molecular weight of 140.14 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione is sourced from PubChem (CID 543141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).