11-methylpentacosane

C26H54 — CID 526107

IUPAC11-methylpentacosane
SMILESCCCCCCCCCCCCCCC(C)CCCCCCCCCC
InChIInChI=1S/C26H54/c1-4-6-8-10-12-14-15-16-17-19-21-23-25-26(3)24-22-20-18-13-11-9-7-5-2/h26H,4-25H2,1-3H3
InChIKeyZQPLZRKQNMWCPZ-UHFFFAOYSA-N
MW366.72 g/mol
LogP10.24
Rot. Bonds22

About 11-methylpentacosane

11-methylpentacosane (PubChem CID 526107) has the molecular formula C26H54 and a molecular weight of 366.72 g/mol. Its IUPAC name is 11-methylpentacosane.

Molecular Properties

Compound Name11-methylpentacosane
PubChem CID526107
Molecular FormulaC26H54
Molecular Weight366.72 g/mol
Exact Mass366.42
IUPAC Name11-methylpentacosane
SMILESCCCCCCCCCCCCCCC(C)CCCCCCCCCC
InChIInChI=1S/C26H54/c1-4-6-8-10-12-14-15-16-17-19-21-23-25-26(3)24-22-20-18-13-11-9-7-5-2/h26H,4-25H2,1-3H3
InChIKeyZQPLZRKQNMWCPZ-UHFFFAOYSA-N
XLogP10.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.72
LogP ≤ 510.24
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

6-methyloctacosane
CID 22223942
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392

Frequently Asked Questions

What is the IUPAC name of 11-methylpentacosane?
The IUPAC name of 11-methylpentacosane (CID 526107) is 11-methylpentacosane.
What is the SMILES notation for 11-methylpentacosane?
The canonical SMILES for 11-methylpentacosane is CCCCCCCCCCCCCCC(C)CCCCCCCCCC.
What is the InChIKey of 11-methylpentacosane?
The InChIKey is ZQPLZRKQNMWCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54/c1-4-6-8-10-12-14-15-16-17-19-21-23-25-26(3)24-22-20-18-13-11-9-7-5-2/h26H,4-25H2,1-3H3.
What are the key properties of 11-methylpentacosane?
11-methylpentacosane has a molecular weight of 366.72 g/mol, XLogP of 10.24, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methylpentacosane is sourced from PubChem (CID 526107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).