6,10,24,28-tetramethyloctatriacontane

C42H86 — CID 6430659

IUPAC6,10,24,28-tetramethyloctatriacontane
SMILESCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCCCCC(C)CCCC(C)CCCCC
InChIInChI=1S/C42H86/c1-7-9-11-12-13-19-22-26-32-41(5)37-30-38-42(6)34-28-24-21-18-16-14-15-17-20-23-27-33-40(4)36-29-35-39(3)31-25-10-8-2/h39-42H,7-38H2,1-6H3
InChIKeyKBDUHTOBAJJICC-UHFFFAOYSA-N
MW591.15 g/mol
LogP16.05
Rot. Bonds35

About 6,10,24,28-tetramethyloctatriacontane

6,10,24,28-tetramethyloctatriacontane (PubChem CID 6430659) has the molecular formula C42H86 and a molecular weight of 591.15 g/mol. Its IUPAC name is 6,10,24,28-tetramethyloctatriacontane.

Molecular Properties

Compound Name6,10,24,28-tetramethyloctatriacontane
PubChem CID6430659
Molecular FormulaC42H86
Molecular Weight591.15 g/mol
Exact Mass590.67
IUPAC Name6,10,24,28-tetramethyloctatriacontane
SMILESCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCCCCC(C)CCCC(C)CCCCC
InChIInChI=1S/C42H86/c1-7-9-11-12-13-19-22-26-32-41(5)37-30-38-42(6)34-28-24-21-18-16-14-15-17-20-23-27-33-40(4)36-29-35-39(3)31-25-10-8-2/h39-42H,7-38H2,1-6H3
InChIKeyKBDUHTOBAJJICC-UHFFFAOYSA-N
XLogP16.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds35
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.15
LogP ≤ 516.05
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

7,11-dimethylpentatriacontane
CID 6430674
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
11,15-dimethyltritriacontane
CID 521778
6,10-dimethyloctadecane
CID 86144179
7,11,21-trimethylhentriacontane
CID 6430672
11,15-dimethyloctacosane
CID 71367376
9,13-dimethylnonacosane
CID 6430077

Frequently Asked Questions

What is the IUPAC name of 6,10,24,28-tetramethyloctatriacontane?
The IUPAC name of 6,10,24,28-tetramethyloctatriacontane (CID 6430659) is 6,10,24,28-tetramethyloctatriacontane.
What is the SMILES notation for 6,10,24,28-tetramethyloctatriacontane?
The canonical SMILES for 6,10,24,28-tetramethyloctatriacontane is CCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCCCCC(C)CCCC(C)CCCCC.
What is the InChIKey of 6,10,24,28-tetramethyloctatriacontane?
The InChIKey is KBDUHTOBAJJICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H86/c1-7-9-11-12-13-19-22-26-32-41(5)37-30-38-42(6)34-28-24-21-18-16-14-15-17-20-23-27-33-40(4)36-29-35-39(3)31-25-10-8-2/h39-42H,7-38H2,1-6H3.
What are the key properties of 6,10,24,28-tetramethyloctatriacontane?
6,10,24,28-tetramethyloctatriacontane has a molecular weight of 591.15 g/mol, XLogP of 16.05, 35 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,24,28-tetramethyloctatriacontane is sourced from PubChem (CID 6430659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).