2,6-dimethyltridecane

C15H32 — CID 524061

IUPAC2,6-dimethyltridecane
SMILESCCCCCCCC(C)CCCC(C)C
InChIInChI=1S/C15H32/c1-5-6-7-8-9-12-15(4)13-10-11-14(2)3/h14-15H,5-13H2,1-4H3
InChIKeyJIQUCMXOBFLKIM-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.81
Rot. Bonds10

About 2,6-dimethyltridecane

2,6-dimethyltridecane (PubChem CID 524061) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 2,6-dimethyltridecane.

Molecular Properties

Compound Name2,6-dimethyltridecane
PubChem CID524061
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name2,6-dimethyltridecane
SMILESCCCCCCCC(C)CCCC(C)C
InChIInChI=1S/C15H32/c1-5-6-7-8-9-12-15(4)13-10-11-14(2)3/h14-15H,5-13H2,1-4H3
InChIKeyJIQUCMXOBFLKIM-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'}

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Related Compounds

2,6-dimethylicosane
CID 54262109
2,6-dimethyltriacontane
CID 526581
2,6,10-trimethyldocosane
CID 175986851
2,6,10,14,19-pentamethyltetracosane
CID 6428632
2,6-dimethylundecane
CID 28453
2,44-dimethyltripentacontane
CID 123367078
2,10,16-trimethyloctacosane
CID 91748811
2,8-dimethylhexacosane
CID 91748840
2,15,18-trimethylhentriacontane
CID 90944921
11,15-dimethyloctacosane
CID 71367376
9,13-dimethylnonacosane
CID 6430077
15,19-dimethylpentatriacontane
CID 521781

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyltridecane?
The IUPAC name of 2,6-dimethyltridecane (CID 524061) is 2,6-dimethyltridecane.
What is the SMILES notation for 2,6-dimethyltridecane?
The canonical SMILES for 2,6-dimethyltridecane is CCCCCCCC(C)CCCC(C)C.
What is the InChIKey of 2,6-dimethyltridecane?
The InChIKey is JIQUCMXOBFLKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-5-6-7-8-9-12-15(4)13-10-11-14(2)3/h14-15H,5-13H2,1-4H3.
What are the key properties of 2,6-dimethyltridecane?
2,6-dimethyltridecane 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 2,6-dimethyltridecane is sourced from PubChem (CID 524061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).