2-ethoxyundecanal

C13H26O2 — CID 170451417

IUPAC2-ethoxyundecanal
SMILESCCCCCCCCCC(C=O)OCC
InChIInChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-13(12-14)15-4-2/h12-13H,3-11H2,1-2H3
InChIKeyJQJVGPYABNTUIZ-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.73
Rot. Bonds11

About 2-ethoxyundecanal

2-ethoxyundecanal (PubChem CID 170451417) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-ethoxyundecanal.

Molecular Properties

Compound Name2-ethoxyundecanal
PubChem CID170451417
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2-ethoxyundecanal
SMILESCCCCCCCCCC(C=O)OCC
InChIInChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-13(12-14)15-4-2/h12-13H,3-11H2,1-2H3
InChIKeyJQJVGPYABNTUIZ-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyundecanal?
The IUPAC name of 2-ethoxyundecanal (CID 170451417) is 2-ethoxyundecanal.
What is the SMILES notation for 2-ethoxyundecanal?
The canonical SMILES for 2-ethoxyundecanal is CCCCCCCCCC(C=O)OCC.
What is the InChIKey of 2-ethoxyundecanal?
The InChIKey is JQJVGPYABNTUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-13(12-14)15-4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-ethoxyundecanal?
2-ethoxyundecanal has a molecular weight of 214.35 g/mol, XLogP of 3.73, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyundecanal is sourced from PubChem (CID 170451417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).