2-ethoxyheptane

C9H20O — CID 22559412

IUPAC2-ethoxyheptane
SMILESCCCCCC(C)OCC
InChIInChI=1S/C9H20O/c1-4-6-7-8-9(3)10-5-2/h9H,4-8H2,1-3H3
InChIKeyDGDYQZJLQRCAFA-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.99
Rot. Bonds6

About 2-ethoxyheptane

2-ethoxyheptane (PubChem CID 22559412) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 2-ethoxyheptane.

Molecular Properties

Compound Name2-ethoxyheptane
PubChem CID22559412
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name2-ethoxyheptane
SMILESCCCCCC(C)OCC
InChIInChI=1S/C9H20O/c1-4-6-7-8-9(3)10-5-2/h9H,4-8H2,1-3H3
InChIKeyDGDYQZJLQRCAFA-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethoxyheptane 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-ethoxyheptane?
The IUPAC name of 2-ethoxyheptane (CID 22559412) is 2-ethoxyheptane.
What is the SMILES notation for 2-ethoxyheptane?
The canonical SMILES for 2-ethoxyheptane is CCCCCC(C)OCC.
What is the InChIKey of 2-ethoxyheptane?
The InChIKey is DGDYQZJLQRCAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-4-6-7-8-9(3)10-5-2/h9H,4-8H2,1-3H3.
What are the key properties of 2-ethoxyheptane?
2-ethoxyheptane has a molecular weight of 144.26 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyheptane is sourced from PubChem (CID 22559412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).