2,8-dimethylhexacosane

C28H58 — CID 91748840

IUPAC2,8-dimethylhexacosane
SMILESCCCCCCCCCCCCCCCCCCC(C)CCCCCC(C)C
InChIInChI=1S/C28H58/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-28(4)26-23-20-21-24-27(2)3/h27-28H,5-26H2,1-4H3
InChIKeyJKAMWHCLZUTAEA-UHFFFAOYSA-N
MW394.77 g/mol
LogP10.88
Rot. Bonds23

About 2,8-dimethylhexacosane

2,8-dimethylhexacosane (PubChem CID 91748840) has the molecular formula C28H58 and a molecular weight of 394.77 g/mol. Its IUPAC name is 2,8-dimethylhexacosane.

Molecular Properties

Compound Name2,8-dimethylhexacosane
PubChem CID91748840
Molecular FormulaC28H58
Molecular Weight394.77 g/mol
Exact Mass394.45
IUPAC Name2,8-dimethylhexacosane
SMILESCCCCCCCCCCCCCCCCCCC(C)CCCCCC(C)C
InChIInChI=1S/C28H58/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-28(4)26-23-20-21-24-27(2)3/h27-28H,5-26H2,1-4H3
InChIKeyJKAMWHCLZUTAEA-UHFFFAOYSA-N
XLogP10.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.77
LogP ≤ 510.88
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
2,10,16-trimethyloctacosane
CID 91748811
2,6-dimethylicosane
CID 54262109
2,6-dimethyltriacontane
CID 526581
2,6,10-trimethyldocosane
CID 175986851
2,15,18-trimethylhentriacontane
CID 90944921
2,6-dimethyltridecane
CID 524061
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 2,8-dimethylhexacosane?
The IUPAC name of 2,8-dimethylhexacosane (CID 91748840) is 2,8-dimethylhexacosane.
What is the SMILES notation for 2,8-dimethylhexacosane?
The canonical SMILES for 2,8-dimethylhexacosane is CCCCCCCCCCCCCCCCCCC(C)CCCCCC(C)C.
What is the InChIKey of 2,8-dimethylhexacosane?
The InChIKey is JKAMWHCLZUTAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-28(4)26-23-20-21-24-27(2)3/h27-28H,5-26H2,1-4H3.
What are the key properties of 2,8-dimethylhexacosane?
2,8-dimethylhexacosane has a molecular weight of 394.77 g/mol, XLogP of 10.88, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethylhexacosane is sourced from PubChem (CID 91748840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).