2,6,10-trimethyldocosane

C25H52 — CID 175986851

IUPAC2,6,10-trimethyldocosane
SMILESCCCCCCCCCCCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C25H52/c1-6-7-8-9-10-11-12-13-14-15-19-24(4)21-17-22-25(5)20-16-18-23(2)3/h23-25H,6-22H2,1-5H3
InChIKeyQGQRWDZPCVSHQE-UHFFFAOYSA-N
MW352.69 g/mol
LogP9.57
Rot. Bonds19

About 2,6,10-trimethyldocosane

2,6,10-trimethyldocosane (PubChem CID 175986851) has the molecular formula C25H52 and a molecular weight of 352.69 g/mol. Its IUPAC name is 2,6,10-trimethyldocosane.

Molecular Properties

Compound Name2,6,10-trimethyldocosane
PubChem CID175986851
Molecular FormulaC25H52
Molecular Weight352.69 g/mol
Exact Mass352.41
IUPAC Name2,6,10-trimethyldocosane
SMILESCCCCCCCCCCCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C25H52/c1-6-7-8-9-10-11-12-13-14-15-19-24(4)21-17-22-25(5)20-16-18-23(2)3/h23-25H,6-22H2,1-5H3
InChIKeyQGQRWDZPCVSHQE-UHFFFAOYSA-N
XLogP9.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.69
LogP ≤ 59.57
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-dimethylicosane
CID 54262109
2,6-dimethyltriacontane
CID 526581
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 2,6,10-trimethyldocosane?
The IUPAC name of 2,6,10-trimethyldocosane (CID 175986851) is 2,6,10-trimethyldocosane.
What is the SMILES notation for 2,6,10-trimethyldocosane?
The canonical SMILES for 2,6,10-trimethyldocosane is CCCCCCCCCCCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 2,6,10-trimethyldocosane?
The InChIKey is QGQRWDZPCVSHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52/c1-6-7-8-9-10-11-12-13-14-15-19-24(4)21-17-22-25(5)20-16-18-23(2)3/h23-25H,6-22H2,1-5H3.
What are the key properties of 2,6,10-trimethyldocosane?
2,6,10-trimethyldocosane has a molecular weight of 352.69 g/mol, XLogP of 9.57, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10-trimethyldocosane is sourced from PubChem (CID 175986851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).