2,4,8-trimethyloctacosane

C31H64 — CID 91751081

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

About 2,4,8-trimethyloctacosane

2,4,8-trimethyloctacosane (PubChem CID 91751081) has the molecular formula C31H64 and a molecular weight of 436.85 g/mol. Its IUPAC name is 2,4,8-trimethyloctacosane.

Molecular Properties

Compound Name2,4,8-trimethyloctacosane
PubChem CID91751081
Molecular FormulaC31H64
Molecular Weight436.85 g/mol
Exact Mass436.50
IUPAC Name2,4,8-trimethyloctacosane
SMILESCCCCCCCCCCCCCCCCCCCCC(C)CCCC(C)CC(C)C
InChIInChI=1S/C31H64/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-30(4)26-24-27-31(5)28-29(2)3/h29-31H,6-28H2,1-5H3
InChIKeyIGPUWVREMUWCLK-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

2,4-dimethyltetradecane
CID 53423723
(4S)-2,4-dimethylicosane
CID 134952934
(4S,6S,8S)-2,4,6,8-tetramethyltetracosane
CID 141213214
15,19,21-trimethylheptatriacontane
CID 20837834
6,10,24,28-tetramethyloctatriacontane
CID 6430659
7,11,21-trimethylhentriacontane
CID 6430672
15,19-dimethylpentatriacontane
CID 521781
8,12,20-trimethyltetracontane
CID 6430679
(15R,19S)-15,19-dimethylheptatriacontane
CID 162889716
11,15-dimethylheptacosane
CID 6430046
10,14,18-trimethyldotriacontane
CID 86017574
10,14-dimethyltetratriacontane
CID 86017565

Frequently Asked Questions

What is the IUPAC name of 2,4,8-trimethyloctacosane?
The IUPAC name of 2,4,8-trimethyloctacosane (CID 91751081) is 2,4,8-trimethyloctacosane.
What is the SMILES notation for 2,4,8-trimethyloctacosane?
The canonical SMILES for 2,4,8-trimethyloctacosane is CCCCCCCCCCCCCCCCCCCCC(C)CCCC(C)CC(C)C.
What is the InChIKey of 2,4,8-trimethyloctacosane?
The InChIKey is IGPUWVREMUWCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H64/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-30(4)26-24-27-31(5)28-29(2)3/h29-31H,6-28H2,1-5H3.
What are the key properties of 2,4,8-trimethyloctacosane?
2,4,8-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 2,4,8-trimethyloctacosane is sourced from PubChem (CID 91751081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).