2,11-dimethyl-11-(2-methylbutyl)octadecane

C25H52 — CID 90943555

IUPAC2,11-dimethyl-11-(2-methylbutyl)octadecane
SMILESCCCCCCCC(C)(CCCCCCCCC(C)C)CC(C)CC
InChIInChI=1S/C25H52/c1-7-9-10-14-17-20-25(6,22-24(5)8-2)21-18-15-12-11-13-16-19-23(3)4/h23-24H,7-22H2,1-6H3
InChIKeyCAQAVYYNDITKEU-UHFFFAOYSA-N
MW352.69 g/mol
LogP9.57
Rot. Bonds18

About 2,11-dimethyl-11-(2-methylbutyl)octadecane

2,11-dimethyl-11-(2-methylbutyl)octadecane (PubChem CID 90943555) has the molecular formula C25H52 and a molecular weight of 352.69 g/mol. Its IUPAC name is 2,11-dimethyl-11-(2-methylbutyl)octadecane.

Molecular Properties

Compound Name2,11-dimethyl-11-(2-methylbutyl)octadecane
PubChem CID90943555
Molecular FormulaC25H52
Molecular Weight352.69 g/mol
Exact Mass352.41
IUPAC Name2,11-dimethyl-11-(2-methylbutyl)octadecane
SMILESCCCCCCCC(C)(CCCCCCCCC(C)C)CC(C)CC
InChIInChI=1S/C25H52/c1-7-9-10-14-17-20-25(6,22-24(5)8-2)21-18-15-12-11-13-16-19-23(3)4/h23-24H,7-22H2,1-6H3
InChIKeyCAQAVYYNDITKEU-UHFFFAOYSA-N
XLogP9.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.69
LogP ≤ 59.57
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

17-methyl-17,19-di(tetradecyl)pentatriacontane
CID 91342880
2-methyldecane;3-methylheptane;3-methylundecane
CID 91314766
2-methylbutane;2-methyltridecane
CID 54106775
2-methyltetratriacontane
CID 14275207
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
2-methyloctacosane
CID 519147
2,8-dimethylhexacosane
CID 91748840
2,2-dimethylpropane;ethane;2-methylheptane
CID 143493212
2,44-dimethyltripentacontane
CID 123367078
2,10,16-trimethyloctacosane
CID 91748811
4-ethyl-2,4-dimethylundecane
CID 22481197

Frequently Asked Questions

What is the IUPAC name of 2,11-dimethyl-11-(2-methylbutyl)octadecane?
The IUPAC name of 2,11-dimethyl-11-(2-methylbutyl)octadecane (CID 90943555) is 2,11-dimethyl-11-(2-methylbutyl)octadecane.
What is the SMILES notation for 2,11-dimethyl-11-(2-methylbutyl)octadecane?
The canonical SMILES for 2,11-dimethyl-11-(2-methylbutyl)octadecane is CCCCCCCC(C)(CCCCCCCCC(C)C)CC(C)CC.
What is the InChIKey of 2,11-dimethyl-11-(2-methylbutyl)octadecane?
The InChIKey is CAQAVYYNDITKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52/c1-7-9-10-14-17-20-25(6,22-24(5)8-2)21-18-15-12-11-13-16-19-23(3)4/h23-24H,7-22H2,1-6H3.
What are the key properties of 2,11-dimethyl-11-(2-methylbutyl)octadecane?
2,11-dimethyl-11-(2-methylbutyl)octadecane has a molecular weight of 352.69 g/mol, XLogP of 9.57, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,11-dimethyl-11-(2-methylbutyl)octadecane is sourced from PubChem (CID 90943555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).