2-ethoxypentanal

C7H14O2 — CID 57268596

IUPAC2-ethoxypentanal
SMILESCCCC(C=O)OCC
InChIInChI=1S/C7H14O2/c1-3-5-7(6-8)9-4-2/h6-7H,3-5H2,1-2H3
InChIKeyFSCDRCREBXGSQM-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.39
Rot. Bonds5

About 2-ethoxypentanal

2-ethoxypentanal (PubChem CID 57268596) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-ethoxypentanal.

Molecular Properties

Compound Name2-ethoxypentanal
PubChem CID57268596
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-ethoxypentanal
SMILESCCCC(C=O)OCC
InChIInChI=1S/C7H14O2/c1-3-5-7(6-8)9-4-2/h6-7H,3-5H2,1-2H3
InChIKeyFSCDRCREBXGSQM-UHFFFAOYSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethoxypentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxypentanal?
The IUPAC name of 2-ethoxypentanal (CID 57268596) is 2-ethoxypentanal.
What is the SMILES notation for 2-ethoxypentanal?
The canonical SMILES for 2-ethoxypentanal is CCCC(C=O)OCC.
What is the InChIKey of 2-ethoxypentanal?
The InChIKey is FSCDRCREBXGSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-5-7(6-8)9-4-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-ethoxypentanal?
2-ethoxypentanal has a molecular weight of 130.19 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypentanal is sourced from PubChem (CID 57268596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).