(3aS,6R,6aR)-6-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C7H10O3 — CID 10844480

IUPAC(3aS,6R,6aR)-6-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESO=C1C[C@@H]2CC[C@@H](O)[C@@H]2O1
InChIInChI=1S/C7H10O3/c8-5-2-1-4-3-6(9)10-7(4)5/h4-5,7-8H,1-3H2/t4-,5+,7+/m0/s1
InChIKeyMBJJGJACXCAZKL-HBPOCXIASA-N
MW142.15 g/mol
LogP0.07
Rot. Bonds

About (3aS,6R,6aR)-6-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

(3aS,6R,6aR)-6-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 10844480) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (3aS,6R,6aR)-6-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aS,6R,6aR)-6-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID10844480
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(3aS,6R,6aR)-6-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESO=C1C[C@@H]2CC[C@@H](O)[C@@H]2O1
InChIInChI=1S/C7H10O3/c8-5-2-1-4-3-6(9)10-7(4)5/h4-5,7-8H,1-3H2/t4-,5+,7+/m0/s1
InChIKeyMBJJGJACXCAZKL-HBPOCXIASA-N
XLogP0.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aS,6R,6aR)-6-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one 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 (3aS,6R,6aR)-6-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aS,6R,6aR)-6-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 10844480) is (3aS,6R,6aR)-6-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aS,6R,6aR)-6-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aS,6R,6aR)-6-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is O=C1C[C@@H]2CC[C@@H](O)[C@@H]2O1.
What is the InChIKey of (3aS,6R,6aR)-6-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is MBJJGJACXCAZKL-HBPOCXIASA-N. The full InChI is InChI=1S/C7H10O3/c8-5-2-1-4-3-6(9)10-7(4)5/h4-5,7-8H,1-3H2/t4-,5+,7+/m0/s1.
What are the key properties of (3aS,6R,6aR)-6-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(3aS,6R,6aR)-6-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 142.15 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6R,6aR)-6-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 10844480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).