(3aR,6R,6aR)-6-hydroxy-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one

C7H8O3 — CID 10582861

IUPAC(3aR,6R,6aR)-6-hydroxy-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
SMILESO=C1C[C@@H]2C=C[C@@H](O)[C@@H]2O1
InChIInChI=1S/C7H8O3/c8-5-2-1-4-3-6(9)10-7(4)5/h1-2,4-5,7-8H,3H2/t4-,5+,7+/m0/s1
InChIKeyRLCFLOOMBMSCFI-HBPOCXIASA-N
MW140.14 g/mol
LogP-0.15
Rot. Bonds

About (3aR,6R,6aR)-6-hydroxy-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one

(3aR,6R,6aR)-6-hydroxy-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one (PubChem CID 10582861) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is (3aR,6R,6aR)-6-hydroxy-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aR,6R,6aR)-6-hydroxy-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
PubChem CID10582861
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name(3aR,6R,6aR)-6-hydroxy-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
SMILESO=C1C[C@@H]2C=C[C@@H](O)[C@@H]2O1
InChIInChI=1S/C7H8O3/c8-5-2-1-4-3-6(9)10-7(4)5/h1-2,4-5,7-8H,3H2/t4-,5+,7+/m0/s1
InChIKeyRLCFLOOMBMSCFI-HBPOCXIASA-N
XLogP-0.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aR)-6-hydroxy-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aR,6R,6aR)-6-hydroxy-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one (CID 10582861) is (3aR,6R,6aR)-6-hydroxy-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aR,6R,6aR)-6-hydroxy-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aR,6R,6aR)-6-hydroxy-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one is O=C1C[C@@H]2C=C[C@@H](O)[C@@H]2O1.
What is the InChIKey of (3aR,6R,6aR)-6-hydroxy-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one?
The InChIKey is RLCFLOOMBMSCFI-HBPOCXIASA-N. The full InChI is InChI=1S/C7H8O3/c8-5-2-1-4-3-6(9)10-7(4)5/h1-2,4-5,7-8H,3H2/t4-,5+,7+/m0/s1.
What are the key properties of (3aR,6R,6aR)-6-hydroxy-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one?
(3aR,6R,6aR)-6-hydroxy-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one has a molecular weight of 140.14 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aR)-6-hydroxy-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 10582861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).