2,22-dimethyltricosane

C25H52 — CID 58100191

IUPAC2,22-dimethyltricosane
SMILESCC(C)CCCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C25H52/c1-24(2)22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25(3)4/h24-25H,5-23H2,1-4H3
InChIKeyOSUXCHNNUDOIET-UHFFFAOYSA-N
MW352.69 g/mol
LogP9.71
Rot. Bonds20

About 2,22-dimethyltricosane

2,22-dimethyltricosane (PubChem CID 58100191) has the molecular formula C25H52 and a molecular weight of 352.69 g/mol. Its IUPAC name is 2,22-dimethyltricosane.

Molecular Properties

Compound Name2,22-dimethyltricosane
PubChem CID58100191
Molecular FormulaC25H52
Molecular Weight352.69 g/mol
Exact Mass352.41
IUPAC Name2,22-dimethyltricosane
SMILESCC(C)CCCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C25H52/c1-24(2)22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25(3)4/h24-25H,5-23H2,1-4H3
InChIKeyOSUXCHNNUDOIET-UHFFFAOYSA-N
XLogP9.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.69
LogP ≤ 59.71
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

2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
22-methyltricosylphosphanium bromide
CID 87821946
2,34-dimethylpentatriacontan-18-amine
CID 141007495
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
2-methyloctacosane
CID 519147
CID 151699977
CID 151699977
17-methyloctadecane-1,1-diamine
CID 154316058
alumane;2-methyldecane
CID 174844655
2-chloro-9-methyldecane
CID 174557182

Frequently Asked Questions

What is the IUPAC name of 2,22-dimethyltricosane?
The IUPAC name of 2,22-dimethyltricosane (CID 58100191) is 2,22-dimethyltricosane.
What is the SMILES notation for 2,22-dimethyltricosane?
The canonical SMILES for 2,22-dimethyltricosane is CC(C)CCCCCCCCCCCCCCCCCCCC(C)C.
What is the InChIKey of 2,22-dimethyltricosane?
The InChIKey is OSUXCHNNUDOIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52/c1-24(2)22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25(3)4/h24-25H,5-23H2,1-4H3.
What are the key properties of 2,22-dimethyltricosane?
2,22-dimethyltricosane has a molecular weight of 352.69 g/mol, XLogP of 9.71, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,22-dimethyltricosane is sourced from PubChem (CID 58100191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).