5,9,17-trimethylhenicosane

C24H50 — CID 123913465

IUPAC5,9,17-trimethylhenicosane
SMILESCCCCC(C)CCCCCCCC(C)CCCC(C)CCCC
InChIInChI=1S/C24H50/c1-6-8-16-22(3)18-13-11-10-12-14-19-24(5)21-15-20-23(4)17-9-7-2/h22-24H,6-21H2,1-5H3
InChIKeyBJOINKQAMYEHGQ-UHFFFAOYSA-N
MW338.66 g/mol
LogP9.18
Rot. Bonds18

About 5,9,17-trimethylhenicosane

5,9,17-trimethylhenicosane (PubChem CID 123913465) has the molecular formula C24H50 and a molecular weight of 338.66 g/mol. Its IUPAC name is 5,9,17-trimethylhenicosane.

Molecular Properties

Compound Name5,9,17-trimethylhenicosane
PubChem CID123913465
Molecular FormulaC24H50
Molecular Weight338.66 g/mol
Exact Mass338.39
IUPAC Name5,9,17-trimethylhenicosane
SMILESCCCCC(C)CCCCCCCC(C)CCCC(C)CCCC
InChIInChI=1S/C24H50/c1-6-8-16-22(3)18-13-11-10-12-14-19-24(5)21-15-20-23(4)17-9-7-2/h22-24H,6-21H2,1-5H3
InChIKeyBJOINKQAMYEHGQ-UHFFFAOYSA-N
XLogP9.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.66
LogP ≤ 59.18
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

5,9-dimethyloctacosane
CID 86017569
5,9,13-trimethylnonatriacontane
CID 6430649
5,9,13,23-tetramethylnonatriacontane
CID 6430646
(5S,9R)-5,9-dimethylpentadecane
CID 12993532
5,11-dimethylheptacosane
CID 6430065
5-methylicosane
CID 527472
7,11-dimethylpentatriacontane
CID 6430674
5,13,19-trimethylheptatriacontane
CID 172565409
15,19-dimethylpentatriacontane
CID 521781
8,12,20-trimethyltetracontane
CID 6430679
(15R,19S)-15,19-dimethylheptatriacontane
CID 162889716
5,23-dimethyltritriacontane
CID 71339926

Frequently Asked Questions

What is the IUPAC name of 5,9,17-trimethylhenicosane?
The IUPAC name of 5,9,17-trimethylhenicosane (CID 123913465) is 5,9,17-trimethylhenicosane.
What is the SMILES notation for 5,9,17-trimethylhenicosane?
The canonical SMILES for 5,9,17-trimethylhenicosane is CCCCC(C)CCCCCCCC(C)CCCC(C)CCCC.
What is the InChIKey of 5,9,17-trimethylhenicosane?
The InChIKey is BJOINKQAMYEHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50/c1-6-8-16-22(3)18-13-11-10-12-14-19-24(5)21-15-20-23(4)17-9-7-2/h22-24H,6-21H2,1-5H3.
What are the key properties of 5,9,17-trimethylhenicosane?
5,9,17-trimethylhenicosane has a molecular weight of 338.66 g/mol, XLogP of 9.18, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9,17-trimethylhenicosane is sourced from PubChem (CID 123913465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).