(3aS,4R)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde

C8H10O3 — CID 22858391

IUPAC(3aS,4R)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde
SMILESO=C[C@@H]1CCC2OC(=O)C[C@H]21
InChIInChI=1S/C8H10O3/c9-4-5-1-2-7-6(5)3-8(10)11-7/h4-7H,1-3H2/t5-,6-,7?/m0/s1
InChIKeyDOBNBRNXWCUUQW-WABBHOIFSA-N
MW154.16 g/mol
LogP0.53
Rot. Bonds1

About (3aS,4R)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde

(3aS,4R)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde (PubChem CID 22858391) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (3aS,4R)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde.

Molecular Properties

Compound Name(3aS,4R)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde
PubChem CID22858391
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(3aS,4R)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde
SMILESO=C[C@@H]1CCC2OC(=O)C[C@H]21
InChIInChI=1S/C8H10O3/c9-4-5-1-2-7-6(5)3-8(10)11-7/h4-7H,1-3H2/t5-,6-,7?/m0/s1
InChIKeyDOBNBRNXWCUUQW-WABBHOIFSA-N
XLogP0.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aS,4R)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde?
The IUPAC name of (3aS,4R)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde (CID 22858391) is (3aS,4R)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde.
What is the SMILES notation for (3aS,4R)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde?
The canonical SMILES for (3aS,4R)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde is O=C[C@@H]1CCC2OC(=O)C[C@H]21.
What is the InChIKey of (3aS,4R)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde?
The InChIKey is DOBNBRNXWCUUQW-WABBHOIFSA-N. The full InChI is InChI=1S/C8H10O3/c9-4-5-1-2-7-6(5)3-8(10)11-7/h4-7H,1-3H2/t5-,6-,7?/m0/s1.
What are the key properties of (3aS,4R)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde?
(3aS,4R)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde has a molecular weight of 154.16 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde is sourced from PubChem (CID 22858391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).