2,24,26-trimethyldotetracontane

C45H92 — CID 91249721

IUPAC2,24,26-trimethyldotetracontane
SMILESCCCCCCCCCCCCCCCCC(C)CC(C)CCCCCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C45H92/c1-6-7-8-9-10-11-12-13-22-25-28-31-34-37-40-44(4)42-45(5)41-38-35-32-29-26-23-20-18-16-14-15-17-19-21-24-27-30-33-36-39-43(2)3/h43-45H,6-42H2,1-5H3
InChIKeyDUTJFEUCSQTWHV-UHFFFAOYSA-N
MW633.23 g/mol
LogP17.37
Rot. Bonds39

About 2,24,26-trimethyldotetracontane

2,24,26-trimethyldotetracontane (PubChem CID 91249721) has the molecular formula C45H92 and a molecular weight of 633.23 g/mol. Its IUPAC name is 2,24,26-trimethyldotetracontane.

Molecular Properties

Compound Name2,24,26-trimethyldotetracontane
PubChem CID91249721
Molecular FormulaC45H92
Molecular Weight633.23 g/mol
Exact Mass632.72
IUPAC Name2,24,26-trimethyldotetracontane
SMILESCCCCCCCCCCCCCCCCC(C)CC(C)CCCCCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C45H92/c1-6-7-8-9-10-11-12-13-22-25-28-31-34-37-40-44(4)42-45(5)41-38-35-32-29-26-23-20-18-16-14-15-17-19-21-24-27-30-33-36-39-43(2)3/h43-45H,6-42H2,1-5H3
InChIKeyDUTJFEUCSQTWHV-UHFFFAOYSA-N
XLogP17.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds39
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.23
LogP ≤ 517.37
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

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2,8-dimethylhexacosane
CID 91748840
(4S,6S,8S)-2,4,6,8-tetramethyltetracosane
CID 141213214
2,4-dimethyltetradecane
CID 53423723
(4R,6S)-4,6-dimethyldodecane
CID 162976966
2,6-dimethylicosane
CID 54262109
2,6-dimethyltriacontane
CID 526581
2,6-dimethyltridecane
CID 524061
5,15,17-trimethylpentatriacontane
CID 172565406
15,19,21-trimethylheptatriacontane
CID 20837834

Frequently Asked Questions

What is the IUPAC name of 2,24,26-trimethyldotetracontane?
The IUPAC name of 2,24,26-trimethyldotetracontane (CID 91249721) is 2,24,26-trimethyldotetracontane.
What is the SMILES notation for 2,24,26-trimethyldotetracontane?
The canonical SMILES for 2,24,26-trimethyldotetracontane is CCCCCCCCCCCCCCCCC(C)CC(C)CCCCCCCCCCCCCCCCCCCCCC(C)C.
What is the InChIKey of 2,24,26-trimethyldotetracontane?
The InChIKey is DUTJFEUCSQTWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H92/c1-6-7-8-9-10-11-12-13-22-25-28-31-34-37-40-44(4)42-45(5)41-38-35-32-29-26-23-20-18-16-14-15-17-19-21-24-27-30-33-36-39-43(2)3/h43-45H,6-42H2,1-5H3.
What are the key properties of 2,24,26-trimethyldotetracontane?
2,24,26-trimethyldotetracontane has a molecular weight of 633.23 g/mol, XLogP of 17.37, 39 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,24,26-trimethyldotetracontane is sourced from PubChem (CID 91249721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).