2-(6-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl)acetate

C11H13O6- — CID 169012992

IUPAC2-(6-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl)acetate
SMILESCC(=O)OC1C(CC(=O)[O-])CC2CC(=O)OC21
InChIInChI=1S/C11H14O6/c1-5(12)16-10-6(3-8(13)14)2-7-4-9(15)17-11(7)10/h6-7,10-11H,2-4H2,1H3,(H,13,14)/p-1
InChIKeyFJTFNVPWMSVHKT-UHFFFAOYSA-M
MW241.22 g/mol
LogP-0.99
Rot. Bonds3

About 2-(6-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl)acetate

2-(6-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl)acetate (PubChem CID 169012992) has the molecular formula C11H13O6- and a molecular weight of 241.22 g/mol. Its IUPAC name is 2-(6-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl)acetate.

Molecular Properties

Compound Name2-(6-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl)acetate
PubChem CID169012992
Molecular FormulaC11H13O6-
Molecular Weight241.22 g/mol
Exact Mass241.07
IUPAC Name2-(6-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl)acetate
SMILESCC(=O)OC1C(CC(=O)[O-])CC2CC(=O)OC21
InChIInChI=1S/C11H14O6/c1-5(12)16-10-6(3-8(13)14)2-7-4-9(15)17-11(7)10/h6-7,10-11H,2-4H2,1H3,(H,13,14)/p-1
InChIKeyFJTFNVPWMSVHKT-UHFFFAOYSA-M
XLogP-0.99
TPSA92.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(6-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl)acetate 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 2-(6-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl)acetate?
The IUPAC name of 2-(6-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl)acetate (CID 169012992) is 2-(6-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl)acetate.
What is the SMILES notation for 2-(6-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl)acetate?
The canonical SMILES for 2-(6-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl)acetate is CC(=O)OC1C(CC(=O)[O-])CC2CC(=O)OC21.
What is the InChIKey of 2-(6-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl)acetate?
The InChIKey is FJTFNVPWMSVHKT-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14O6/c1-5(12)16-10-6(3-8(13)14)2-7-4-9(15)17-11(7)10/h6-7,10-11H,2-4H2,1H3,(H,13,14)/p-1.
What are the key properties of 2-(6-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl)acetate?
2-(6-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl)acetate has a molecular weight of 241.22 g/mol, XLogP of -0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl)acetate is sourced from PubChem (CID 169012992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).