2,6-dimethylicosane

C22H46 — CID 54262109

IUPAC2,6-dimethylicosane
SMILESCCCCCCCCCCCCCCC(C)CCCC(C)C
InChIInChI=1S/C22H46/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-22(4)20-17-18-21(2)3/h21-22H,5-20H2,1-4H3
InChIKeyJEPLZAKXISKCIV-UHFFFAOYSA-N
MW310.61 g/mol
LogP8.54
Rot. Bonds17

About 2,6-dimethylicosane

2,6-dimethylicosane (PubChem CID 54262109) has the molecular formula C22H46 and a molecular weight of 310.61 g/mol. Its IUPAC name is 2,6-dimethylicosane.

Molecular Properties

Compound Name2,6-dimethylicosane
PubChem CID54262109
Molecular FormulaC22H46
Molecular Weight310.61 g/mol
Exact Mass310.36
IUPAC Name2,6-dimethylicosane
SMILESCCCCCCCCCCCCCCC(C)CCCC(C)C
InChIInChI=1S/C22H46/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-22(4)20-17-18-21(2)3/h21-22H,5-20H2,1-4H3
InChIKeyJEPLZAKXISKCIV-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.61
LogP ≤ 58.54
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

2,6-dimethyltriacontane
CID 526581
2,6,10-trimethyldocosane
CID 175986851
2,6-dimethyltridecane
CID 524061
2,8-dimethylhexacosane
CID 91748840
2,6,10,14,19-pentamethyltetracosane
CID 6428632
2,6-dimethylundecane
CID 28453
2,44-dimethyltripentacontane
CID 123367078
2,10,16-trimethyloctacosane
CID 91748811
2,15,18-trimethylhentriacontane
CID 90944921
11,15-dimethyloctacosane
CID 71367376
9,13-dimethylnonacosane
CID 6430077
15,19-dimethylpentatriacontane
CID 521781

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylicosane?
The IUPAC name of 2,6-dimethylicosane (CID 54262109) is 2,6-dimethylicosane.
What is the SMILES notation for 2,6-dimethylicosane?
The canonical SMILES for 2,6-dimethylicosane is CCCCCCCCCCCCCCC(C)CCCC(C)C.
What is the InChIKey of 2,6-dimethylicosane?
The InChIKey is JEPLZAKXISKCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-22(4)20-17-18-21(2)3/h21-22H,5-20H2,1-4H3.
What are the key properties of 2,6-dimethylicosane?
2,6-dimethylicosane has a molecular weight of 310.61 g/mol, XLogP of 8.54, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylicosane is sourced from PubChem (CID 54262109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).