(9R)-9-methylhenicosane

C22H46 — CID 170848396

IUPAC(9R)-9-methylhenicosane
SMILESCCCCCCCCCCCC[C@H](C)CCCCCCCC
InChIInChI=1S/C22H46/c1-4-6-8-10-12-13-14-15-17-19-21-22(3)20-18-16-11-9-7-5-2/h22H,4-21H2,1-3H3/t22-/m1/s1
InChIKeyFMYOFMOARCOJGG-JOCHJYFZSA-N
MW310.61 g/mol
LogP8.68
Rot. Bonds18

About (9R)-9-methylhenicosane

(9R)-9-methylhenicosane (PubChem CID 170848396) has the molecular formula C22H46 and a molecular weight of 310.61 g/mol. Its IUPAC name is (9R)-9-methylhenicosane.

Molecular Properties

Compound Name(9R)-9-methylhenicosane
PubChem CID170848396
Molecular FormulaC22H46
Molecular Weight310.61 g/mol
Exact Mass310.36
IUPAC Name(9R)-9-methylhenicosane
SMILESCCCCCCCCCCCC[C@H](C)CCCCCCCC
InChIInChI=1S/C22H46/c1-4-6-8-10-12-13-14-15-17-19-21-22(3)20-18-16-11-9-7-5-2/h22H,4-21H2,1-3H3/t22-/m1/s1
InChIKeyFMYOFMOARCOJGG-JOCHJYFZSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.61
LogP ≤ 58.68
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 (9R)-9-methylhenicosane?
The IUPAC name of (9R)-9-methylhenicosane (CID 170848396) is (9R)-9-methylhenicosane.
What is the SMILES notation for (9R)-9-methylhenicosane?
The canonical SMILES for (9R)-9-methylhenicosane is CCCCCCCCCCCC[C@H](C)CCCCCCCC.
What is the InChIKey of (9R)-9-methylhenicosane?
The InChIKey is FMYOFMOARCOJGG-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H46/c1-4-6-8-10-12-13-14-15-17-19-21-22(3)20-18-16-11-9-7-5-2/h22H,4-21H2,1-3H3/t22-/m1/s1.
What are the key properties of (9R)-9-methylhenicosane?
(9R)-9-methylhenicosane has a molecular weight of 310.61 g/mol, XLogP of 8.68, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-methylhenicosane is sourced from PubChem (CID 170848396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).