2-cyclopentyl-2-ethoxyacetaldehyde

C9H16O2 — CID 131230429

IUPAC2-cyclopentyl-2-ethoxyacetaldehyde
SMILESCCOC(C=O)C1CCCC1
InChIInChI=1S/C9H16O2/c1-2-11-9(7-10)8-5-3-4-6-8/h7-9H,2-6H2,1H3
InChIKeyYICTXCURXAXWBB-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.78
Rot. Bonds4

About 2-cyclopentyl-2-ethoxyacetaldehyde

2-cyclopentyl-2-ethoxyacetaldehyde (PubChem CID 131230429) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-cyclopentyl-2-ethoxyacetaldehyde.

Molecular Properties

Compound Name2-cyclopentyl-2-ethoxyacetaldehyde
PubChem CID131230429
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-cyclopentyl-2-ethoxyacetaldehyde
SMILESCCOC(C=O)C1CCCC1
InChIInChI=1S/C9H16O2/c1-2-11-9(7-10)8-5-3-4-6-8/h7-9H,2-6H2,1H3
InChIKeyYICTXCURXAXWBB-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.78
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-cyclopentyl-2-ethoxyacetaldehyde?
The IUPAC name of 2-cyclopentyl-2-ethoxyacetaldehyde (CID 131230429) is 2-cyclopentyl-2-ethoxyacetaldehyde.
What is the SMILES notation for 2-cyclopentyl-2-ethoxyacetaldehyde?
The canonical SMILES for 2-cyclopentyl-2-ethoxyacetaldehyde is CCOC(C=O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-ethoxyacetaldehyde?
The InChIKey is YICTXCURXAXWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-11-9(7-10)8-5-3-4-6-8/h7-9H,2-6H2,1H3.
What are the key properties of 2-cyclopentyl-2-ethoxyacetaldehyde?
2-cyclopentyl-2-ethoxyacetaldehyde has a molecular weight of 156.22 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-ethoxyacetaldehyde is sourced from PubChem (CID 131230429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).