9-methyldocosane

C23H48 — CID 22223822

IUPAC9-methyldocosane
SMILESCCCCCCCCCCCCCC(C)CCCCCCCC
InChIInChI=1S/C23H48/c1-4-6-8-10-12-13-14-15-16-18-20-22-23(3)21-19-17-11-9-7-5-2/h23H,4-22H2,1-3H3
InChIKeyZCELPTJBINQNKO-UHFFFAOYSA-N
MW324.64 g/mol
LogP9.07
Rot. Bonds19

About 9-methyldocosane

9-methyldocosane (PubChem CID 22223822) has the molecular formula C23H48 and a molecular weight of 324.64 g/mol. Its IUPAC name is 9-methyldocosane.

Molecular Properties

Compound Name9-methyldocosane
PubChem CID22223822
Molecular FormulaC23H48
Molecular Weight324.64 g/mol
Exact Mass324.38
IUPAC Name9-methyldocosane
SMILESCCCCCCCCCCCCCC(C)CCCCCCCC
InChIInChI=1S/C23H48/c1-4-6-8-10-12-13-14-15-16-18-20-22-23(3)21-19-17-11-9-7-5-2/h23H,4-22H2,1-3H3
InChIKeyZCELPTJBINQNKO-UHFFFAOYSA-N
XLogP9.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.64
LogP ≤ 59.07
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 9-methyldocosane?
The IUPAC name of 9-methyldocosane (CID 22223822) is 9-methyldocosane.
What is the SMILES notation for 9-methyldocosane?
The canonical SMILES for 9-methyldocosane is CCCCCCCCCCCCCC(C)CCCCCCCC.
What is the InChIKey of 9-methyldocosane?
The InChIKey is ZCELPTJBINQNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48/c1-4-6-8-10-12-13-14-15-16-18-20-22-23(3)21-19-17-11-9-7-5-2/h23H,4-22H2,1-3H3.
What are the key properties of 9-methyldocosane?
9-methyldocosane has a molecular weight of 324.64 g/mol, XLogP of 9.07, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyldocosane is sourced from PubChem (CID 22223822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).