2-cyclopentyl-2-oxoacetaldehyde

C7H10O2 — CID 21413208

IUPAC2-cyclopentyl-2-oxoacetaldehyde
SMILESO=CC(=O)C1CCCC1
InChIInChI=1S/C7H10O2/c8-5-7(9)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyJEJCFQHRMPCZRJ-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.94
Rot. Bonds2

About 2-cyclopentyl-2-oxoacetaldehyde

2-cyclopentyl-2-oxoacetaldehyde (PubChem CID 21413208) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-cyclopentyl-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-cyclopentyl-2-oxoacetaldehyde
PubChem CID21413208
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name2-cyclopentyl-2-oxoacetaldehyde
SMILESO=CC(=O)C1CCCC1
InChIInChI=1S/C7H10O2/c8-5-7(9)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyJEJCFQHRMPCZRJ-UHFFFAOYSA-N
XLogP0.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-oxoacetaldehyde?
The IUPAC name of 2-cyclopentyl-2-oxoacetaldehyde (CID 21413208) is 2-cyclopentyl-2-oxoacetaldehyde.
What is the SMILES notation for 2-cyclopentyl-2-oxoacetaldehyde?
The canonical SMILES for 2-cyclopentyl-2-oxoacetaldehyde is O=CC(=O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-oxoacetaldehyde?
The InChIKey is JEJCFQHRMPCZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-5-7(9)6-3-1-2-4-6/h5-6H,1-4H2.
What are the key properties of 2-cyclopentyl-2-oxoacetaldehyde?
2-cyclopentyl-2-oxoacetaldehyde has a molecular weight of 126.16 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-oxoacetaldehyde is sourced from PubChem (CID 21413208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).