2-cyclopent-2-en-1-yloxybenzaldehyde

C12H12O2 — CID 13110295

IUPAC2-cyclopent-2-en-1-yloxybenzaldehyde
SMILESO=Cc1ccccc1OC1C=CCC1
InChIInChI=1S/C12H12O2/c13-9-10-5-1-4-8-12(10)14-11-6-2-3-7-11/h1-2,4-6,8-9,11H,3,7H2
InChIKeyBVCGMGXKTSTVJT-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.60
Rot. Bonds3

About 2-cyclopent-2-en-1-yloxybenzaldehyde

2-cyclopent-2-en-1-yloxybenzaldehyde (PubChem CID 13110295) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yloxybenzaldehyde.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yloxybenzaldehyde
PubChem CID13110295
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name2-cyclopent-2-en-1-yloxybenzaldehyde
SMILESO=Cc1ccccc1OC1C=CCC1
InChIInChI=1S/C12H12O2/c13-9-10-5-1-4-8-12(10)14-11-6-2-3-7-11/h1-2,4-6,8-9,11H,3,7H2
InChIKeyBVCGMGXKTSTVJT-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.60
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 2-cyclopent-2-en-1-yloxybenzaldehyde?
The IUPAC name of 2-cyclopent-2-en-1-yloxybenzaldehyde (CID 13110295) is 2-cyclopent-2-en-1-yloxybenzaldehyde.
What is the SMILES notation for 2-cyclopent-2-en-1-yloxybenzaldehyde?
The canonical SMILES for 2-cyclopent-2-en-1-yloxybenzaldehyde is O=Cc1ccccc1OC1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-yloxybenzaldehyde?
The InChIKey is BVCGMGXKTSTVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c13-9-10-5-1-4-8-12(10)14-11-6-2-3-7-11/h1-2,4-6,8-9,11H,3,7H2.
What are the key properties of 2-cyclopent-2-en-1-yloxybenzaldehyde?
2-cyclopent-2-en-1-yloxybenzaldehyde has a molecular weight of 188.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yloxybenzaldehyde is sourced from PubChem (CID 13110295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).