5,17-dimethylnonacosane

C31H64 — CID 56936184

IUPAC5,17-dimethylnonacosane
SMILESCCCCCCCCCCCCC(C)CCCCCCCCCCCC(C)CCCC
InChIInChI=1S/C31H64/c1-5-7-9-10-11-12-14-17-21-24-28-31(4)29-25-22-19-16-13-15-18-20-23-27-30(3)26-8-6-2/h30-31H,5-29H2,1-4H3
InChIKeyIJEHERDQWNPYBI-UHFFFAOYSA-N
MW436.85 g/mol
LogP12.05
Rot. Bonds26

About 5,17-dimethylnonacosane

5,17-dimethylnonacosane (PubChem CID 56936184) has the molecular formula C31H64 and a molecular weight of 436.85 g/mol. Its IUPAC name is 5,17-dimethylnonacosane.

Molecular Properties

Compound Name5,17-dimethylnonacosane
PubChem CID56936184
Molecular FormulaC31H64
Molecular Weight436.85 g/mol
Exact Mass436.50
IUPAC Name5,17-dimethylnonacosane
SMILESCCCCCCCCCCCCC(C)CCCCCCCCCCCC(C)CCCC
InChIInChI=1S/C31H64/c1-5-7-9-10-11-12-14-17-21-24-28-31(4)29-25-22-19-16-13-15-18-20-23-27-30(3)26-8-6-2/h30-31H,5-29H2,1-4H3
InChIKeyIJEHERDQWNPYBI-UHFFFAOYSA-N
XLogP12.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.85
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,17-dimethylnonacosane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,11-dimethylheptacosane
CID 6430065
5-methylicosane
CID 527472
5,13,19-trimethylheptatriacontane
CID 172565409
5,23-dimethyltritriacontane
CID 71339926
5-methyloctatriacontane
CID 527416
(5S)-5-methylnonadecane
CID 170848384
5,15-dimethylpentatriacontane
CID 6430641
5,8,18,24-tetramethylhentriacontane
CID 6430103
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

Frequently Asked Questions

What is the IUPAC name of 5,17-dimethylnonacosane?
The IUPAC name of 5,17-dimethylnonacosane (CID 56936184) is 5,17-dimethylnonacosane.
What is the SMILES notation for 5,17-dimethylnonacosane?
The canonical SMILES for 5,17-dimethylnonacosane is CCCCCCCCCCCCC(C)CCCCCCCCCCCC(C)CCCC.
What is the InChIKey of 5,17-dimethylnonacosane?
The InChIKey is IJEHERDQWNPYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H64/c1-5-7-9-10-11-12-14-17-21-24-28-31(4)29-25-22-19-16-13-15-18-20-23-27-30(3)26-8-6-2/h30-31H,5-29H2,1-4H3.
What are the key properties of 5,17-dimethylnonacosane?
5,17-dimethylnonacosane has a molecular weight of 436.85 g/mol, XLogP of 12.05, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,17-dimethylnonacosane is sourced from PubChem (CID 56936184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).