3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-carbaldehyde

C8H10O2 — CID 175056604

IUPAC3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-carbaldehyde
SMILESO=CC1CC2CC=CC2O1
InChIInChI=1S/C8H10O2/c9-5-7-4-6-2-1-3-8(6)10-7/h1,3,5-8H,2,4H2
InChIKeyXDEHEGKNXXLTLC-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.92
Rot. Bonds1

About 3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-carbaldehyde

3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-carbaldehyde (PubChem CID 175056604) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-carbaldehyde.

Molecular Properties

Compound Name3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-carbaldehyde
PubChem CID175056604
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-carbaldehyde
SMILESO=CC1CC2CC=CC2O1
InChIInChI=1S/C8H10O2/c9-5-7-4-6-2-1-3-8(6)10-7/h1,3,5-8H,2,4H2
InChIKeyXDEHEGKNXXLTLC-UHFFFAOYSA-N
XLogP0.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-carbaldehyde?
The IUPAC name of 3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-carbaldehyde (CID 175056604) is 3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-carbaldehyde.
What is the SMILES notation for 3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-carbaldehyde?
The canonical SMILES for 3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-carbaldehyde is O=CC1CC2CC=CC2O1.
What is the InChIKey of 3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-carbaldehyde?
The InChIKey is XDEHEGKNXXLTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-5-7-4-6-2-1-3-8(6)10-7/h1,3,5-8H,2,4H2.
What are the key properties of 3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-carbaldehyde?
3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-carbaldehyde has a molecular weight of 138.17 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-carbaldehyde is sourced from PubChem (CID 175056604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).