2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-carbaldehyde

C12H12O2 — CID 163948359

IUPAC2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-carbaldehyde
SMILESO=CC1CCc2ccc3c(c21)CCO3
InChIInChI=1S/C12H12O2/c13-7-9-2-1-8-3-4-11-10(12(8)9)5-6-14-11/h3-4,7,9H,1-2,5-6H2
InChIKeyRXDJBNQSMWVKFD-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.85
Rot. Bonds1

About 2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-carbaldehyde

2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-carbaldehyde (PubChem CID 163948359) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-carbaldehyde.

Molecular Properties

Compound Name2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-carbaldehyde
PubChem CID163948359
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-carbaldehyde
SMILESO=CC1CCc2ccc3c(c21)CCO3
InChIInChI=1S/C12H12O2/c13-7-9-2-1-8-3-4-11-10(12(8)9)5-6-14-11/h3-4,7,9H,1-2,5-6H2
InChIKeyRXDJBNQSMWVKFD-UHFFFAOYSA-N
XLogP1.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-carbaldehyde?
The IUPAC name of 2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-carbaldehyde (CID 163948359) is 2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-carbaldehyde.
What is the SMILES notation for 2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-carbaldehyde?
The canonical SMILES for 2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-carbaldehyde is O=CC1CCc2ccc3c(c21)CCO3.
What is the InChIKey of 2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-carbaldehyde?
The InChIKey is RXDJBNQSMWVKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c13-7-9-2-1-8-3-4-11-10(12(8)9)5-6-14-11/h3-4,7,9H,1-2,5-6H2.
What are the key properties of 2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-carbaldehyde?
2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-carbaldehyde has a molecular weight of 188.23 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-carbaldehyde is sourced from PubChem (CID 163948359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).