(2S,3aR)-3a-hydroxy-2-methoxy-3,6a-dihydro-2H-cyclopenta[b]furan-6-one

C8H10O4 — CID 89286345

IUPAC(2S,3aR)-3a-hydroxy-2-methoxy-3,6a-dihydro-2H-cyclopenta[b]furan-6-one
SMILESCO[C@@H]1C[C@@]2(O)C=CC(=O)C2O1
InChIInChI=1S/C8H10O4/c1-11-6-4-8(10)3-2-5(9)7(8)12-6/h2-3,6-7,10H,4H2,1H3/t6-,7?,8-/m0/s1
InChIKeyFCXDZTHLOICLTF-PPSBICQBSA-N
MW170.16 g/mol
LogP-0.38
Rot. Bonds1

About (2S,3aR)-3a-hydroxy-2-methoxy-3,6a-dihydro-2H-cyclopenta[b]furan-6-one

(2S,3aR)-3a-hydroxy-2-methoxy-3,6a-dihydro-2H-cyclopenta[b]furan-6-one (PubChem CID 89286345) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is (2S,3aR)-3a-hydroxy-2-methoxy-3,6a-dihydro-2H-cyclopenta[b]furan-6-one.

Molecular Properties

Compound Name(2S,3aR)-3a-hydroxy-2-methoxy-3,6a-dihydro-2H-cyclopenta[b]furan-6-one
PubChem CID89286345
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name(2S,3aR)-3a-hydroxy-2-methoxy-3,6a-dihydro-2H-cyclopenta[b]furan-6-one
SMILESCO[C@@H]1C[C@@]2(O)C=CC(=O)C2O1
InChIInChI=1S/C8H10O4/c1-11-6-4-8(10)3-2-5(9)7(8)12-6/h2-3,6-7,10H,4H2,1H3/t6-,7?,8-/m0/s1
InChIKeyFCXDZTHLOICLTF-PPSBICQBSA-N
XLogP-0.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3aR)-3a-hydroxy-2-methoxy-3,6a-dihydro-2H-cyclopenta[b]furan-6-one?
The IUPAC name of (2S,3aR)-3a-hydroxy-2-methoxy-3,6a-dihydro-2H-cyclopenta[b]furan-6-one (CID 89286345) is (2S,3aR)-3a-hydroxy-2-methoxy-3,6a-dihydro-2H-cyclopenta[b]furan-6-one.
What is the SMILES notation for (2S,3aR)-3a-hydroxy-2-methoxy-3,6a-dihydro-2H-cyclopenta[b]furan-6-one?
The canonical SMILES for (2S,3aR)-3a-hydroxy-2-methoxy-3,6a-dihydro-2H-cyclopenta[b]furan-6-one is CO[C@@H]1C[C@@]2(O)C=CC(=O)C2O1.
What is the InChIKey of (2S,3aR)-3a-hydroxy-2-methoxy-3,6a-dihydro-2H-cyclopenta[b]furan-6-one?
The InChIKey is FCXDZTHLOICLTF-PPSBICQBSA-N. The full InChI is InChI=1S/C8H10O4/c1-11-6-4-8(10)3-2-5(9)7(8)12-6/h2-3,6-7,10H,4H2,1H3/t6-,7?,8-/m0/s1.
What are the key properties of (2S,3aR)-3a-hydroxy-2-methoxy-3,6a-dihydro-2H-cyclopenta[b]furan-6-one?
(2S,3aR)-3a-hydroxy-2-methoxy-3,6a-dihydro-2H-cyclopenta[b]furan-6-one has a molecular weight of 170.16 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR)-3a-hydroxy-2-methoxy-3,6a-dihydro-2H-cyclopenta[b]furan-6-one is sourced from PubChem (CID 89286345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).