2,10,16-trimethyloctacosane

C31H64 — CID 91748811

IUPAC2,10,16-trimethyloctacosane
SMILESCCCCCCCCCCCCC(C)CCCCCC(C)CCCCCCCC(C)C
InChIInChI=1S/C31H64/c1-6-7-8-9-10-11-12-13-16-20-25-30(4)27-22-18-23-28-31(5)26-21-17-14-15-19-24-29(2)3/h29-31H,6-28H2,1-5H3
InChIKeyMOHCVGPXGXFYIR-UHFFFAOYSA-N
MW436.85 g/mol
LogP11.91
Rot. Bonds25

About 2,10,16-trimethyloctacosane

2,10,16-trimethyloctacosane (PubChem CID 91748811) has the molecular formula C31H64 and a molecular weight of 436.85 g/mol. Its IUPAC name is 2,10,16-trimethyloctacosane.

Molecular Properties

Compound Name2,10,16-trimethyloctacosane
PubChem CID91748811
Molecular FormulaC31H64
Molecular Weight436.85 g/mol
Exact Mass436.50
IUPAC Name2,10,16-trimethyloctacosane
SMILESCCCCCCCCCCCCC(C)CCCCCC(C)CCCCCCCC(C)C
InChIInChI=1S/C31H64/c1-6-7-8-9-10-11-12-13-16-20-25-30(4)27-22-18-23-28-31(5)26-21-17-14-15-19-24-29(2)3/h29-31H,6-28H2,1-5H3
InChIKeyMOHCVGPXGXFYIR-UHFFFAOYSA-N
XLogP11.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.85
LogP ≤ 511.91
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

2,44-dimethyltripentacontane
CID 123367078
2,8-dimethylhexacosane
CID 91748840
2,6-dimethyltridecane
CID 524061
2,6-dimethylicosane
CID 54262109
2,6-dimethyltriacontane
CID 526581
2,6,10-trimethyldocosane
CID 175986851
2,15,18-trimethylhentriacontane
CID 90944921
2,6,10,14,19-pentamethyltetracosane
CID 6428632
2,6-dimethylundecane
CID 28453
2-methyloctane;4-methyloctane;nonane
CID 160563952
6-methyloctacosane
CID 22223942
2-methylpentaoctacontane
CID 90745672

Frequently Asked Questions

What is the IUPAC name of 2,10,16-trimethyloctacosane?
The IUPAC name of 2,10,16-trimethyloctacosane (CID 91748811) is 2,10,16-trimethyloctacosane.
What is the SMILES notation for 2,10,16-trimethyloctacosane?
The canonical SMILES for 2,10,16-trimethyloctacosane is CCCCCCCCCCCCC(C)CCCCCC(C)CCCCCCCC(C)C.
What is the InChIKey of 2,10,16-trimethyloctacosane?
The InChIKey is MOHCVGPXGXFYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H64/c1-6-7-8-9-10-11-12-13-16-20-25-30(4)27-22-18-23-28-31(5)26-21-17-14-15-19-24-29(2)3/h29-31H,6-28H2,1-5H3.
What are the key properties of 2,10,16-trimethyloctacosane?
2,10,16-trimethyloctacosane has a molecular weight of 436.85 g/mol, XLogP of 11.91, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10,16-trimethyloctacosane is sourced from PubChem (CID 91748811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).