3,6-diethylundecane

C15H32 — CID 22051817

IUPAC3,6-diethylundecane
SMILESCCCCCC(CC)CCC(CC)CC
InChIInChI=1S/C15H32/c1-5-9-10-11-15(8-4)13-12-14(6-2)7-3/h14-15H,5-13H2,1-4H3
InChIKeyVJEQJMOIMQQOER-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.81
Rot. Bonds10

About 3,6-diethylundecane

3,6-diethylundecane (PubChem CID 22051817) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 3,6-diethylundecane.

Molecular Properties

Compound Name3,6-diethylundecane
PubChem CID22051817
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name3,6-diethylundecane
SMILESCCCCCC(CC)CCC(CC)CC
InChIInChI=1S/C15H32/c1-5-9-10-11-15(8-4)13-12-14(6-2)7-3/h14-15H,5-13H2,1-4H3
InChIKeyVJEQJMOIMQQOER-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,6-diethylundecane with MolForge

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

Launch Full Analysis

Related Compounds

3-ethyloctane;propane
CID 143682929
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
ethane;3-ethylundecane
CID 144815521
7-ethyltridecane;methane
CID 158982306
8-(3-ethylhexyl)hexadecane
CID 123944120
5,8,10-triethylpentadecane
CID 123791231
4-ethylhexadecane
CID 528433

Frequently Asked Questions

What is the IUPAC name of 3,6-diethylundecane?
The IUPAC name of 3,6-diethylundecane (CID 22051817) is 3,6-diethylundecane.
What is the SMILES notation for 3,6-diethylundecane?
The canonical SMILES for 3,6-diethylundecane is CCCCCC(CC)CCC(CC)CC.
What is the InChIKey of 3,6-diethylundecane?
The InChIKey is VJEQJMOIMQQOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-5-9-10-11-15(8-4)13-12-14(6-2)7-3/h14-15H,5-13H2,1-4H3.
What are the key properties of 3,6-diethylundecane?
3,6-diethylundecane has a molecular weight of 212.42 g/mol, XLogP of 5.81, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethylundecane is sourced from PubChem (CID 22051817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).