2,6-dimethylundecane

C13H28 — CID 28453

IUPAC2,6-dimethylundecane
SMILESCCCCCC(C)CCCC(C)C
InChIInChI=1S/C13H28/c1-5-6-7-10-13(4)11-8-9-12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyMFUPKUZLTKVMFM-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.03
Rot. Bonds8

About 2,6-dimethylundecane

2,6-dimethylundecane (PubChem CID 28453) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 2,6-dimethylundecane.

Molecular Properties

Compound Name2,6-dimethylundecane
PubChem CID28453
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name2,6-dimethylundecane
SMILESCCCCCC(C)CCCC(C)C
InChIInChI=1S/C13H28/c1-5-6-7-10-13(4)11-8-9-12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyMFUPKUZLTKVMFM-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500184.37
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,6,10,14,19-pentamethyltetracosane
CID 6428632
2,6-dimethylicosane
CID 54262109
2,6-dimethyltriacontane
CID 526581
2,6,10-trimethyldocosane
CID 175986851
2,6-dimethyltridecane
CID 524061
2,8-dimethylhexacosane
CID 91748840
2,44-dimethyltripentacontane
CID 123367078
2,10,16-trimethyloctacosane
CID 91748811
2,15,18-trimethylhentriacontane
CID 90944921
2,6,10,14,19,23-hexamethylhexacosane
CID 6428620
7,11-dimethylpentatriacontane
CID 6430674
11,15-dimethyloctacosane
CID 71367376

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylundecane?
The IUPAC name of 2,6-dimethylundecane (CID 28453) is 2,6-dimethylundecane.
What is the SMILES notation for 2,6-dimethylundecane?
The canonical SMILES for 2,6-dimethylundecane is CCCCCC(C)CCCC(C)C.
What is the InChIKey of 2,6-dimethylundecane?
The InChIKey is MFUPKUZLTKVMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-5-6-7-10-13(4)11-8-9-12(2)3/h12-13H,5-11H2,1-4H3.
What are the key properties of 2,6-dimethylundecane?
2,6-dimethylundecane has a molecular weight of 184.37 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylundecane is sourced from PubChem (CID 28453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).