2,8-dimethyl-5-(2-methylbutyl)tridecane

C20H42 — CID 57219867

IUPAC2,8-dimethyl-5-(2-methylbutyl)tridecane
SMILESCCCCCC(C)CCC(CCC(C)C)CC(C)CC
InChIInChI=1S/C20H42/c1-7-9-10-11-19(6)13-15-20(14-12-17(3)4)16-18(5)8-2/h17-20H,7-16H2,1-6H3
InChIKeyAFXHWUJUKOATEJ-UHFFFAOYSA-N
MW282.56 g/mol
LogP7.47
Rot. Bonds13

About 2,8-dimethyl-5-(2-methylbutyl)tridecane

2,8-dimethyl-5-(2-methylbutyl)tridecane (PubChem CID 57219867) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 2,8-dimethyl-5-(2-methylbutyl)tridecane.

Molecular Properties

Compound Name2,8-dimethyl-5-(2-methylbutyl)tridecane
PubChem CID57219867
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name2,8-dimethyl-5-(2-methylbutyl)tridecane
SMILESCCCCCC(C)CCC(CCC(C)C)CC(C)CC
InChIInChI=1S/C20H42/c1-7-9-10-11-19(6)13-15-20(14-12-17(3)4)16-18(5)8-2/h17-20H,7-16H2,1-6H3
InChIKeyAFXHWUJUKOATEJ-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.47
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

6,8,10,15-tetramethyl-12-(4-methylhexyl)icosane
CID 123530373
5-butyl-3-methyldodecane
CID 91590933
6-ethyl-2,8-dimethylicosane;2,6,9-trimethylhenicosane
CID 160563987
2,15,18-trimethylhentriacontane
CID 90944921
10-ethyl-2,6,12-trimethyloctacosane
CID 123697620
18-ethyl-15-methyltetratriacontane
CID 123619510
13-ethyl-16-methyltriacontane
CID 123421227
3,5-dimethylpentacosane
CID 86177199
24-docosyl-21-methylheptatetracontane
CID 173071241
2,44-dimethyltripentacontane
CID 123367078
2,6,10,14,19-pentamethyltetracosane
CID 6428632
2,6-dimethylundecane
CID 28453

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-(2-methylbutyl)tridecane?
The IUPAC name of 2,8-dimethyl-5-(2-methylbutyl)tridecane (CID 57219867) is 2,8-dimethyl-5-(2-methylbutyl)tridecane.
What is the SMILES notation for 2,8-dimethyl-5-(2-methylbutyl)tridecane?
The canonical SMILES for 2,8-dimethyl-5-(2-methylbutyl)tridecane is CCCCCC(C)CCC(CCC(C)C)CC(C)CC.
What is the InChIKey of 2,8-dimethyl-5-(2-methylbutyl)tridecane?
The InChIKey is AFXHWUJUKOATEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42/c1-7-9-10-11-19(6)13-15-20(14-12-17(3)4)16-18(5)8-2/h17-20H,7-16H2,1-6H3.
What are the key properties of 2,8-dimethyl-5-(2-methylbutyl)tridecane?
2,8-dimethyl-5-(2-methylbutyl)tridecane has a molecular weight of 282.56 g/mol, XLogP of 7.47, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5-(2-methylbutyl)tridecane is sourced from PubChem (CID 57219867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).