6-methyloctacosane

C29H60 — CID 22223942

IUPAC6-methyloctacosane
SMILESCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCC
InChIInChI=1S/C29H60/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-29(3)27-25-7-5-2/h29H,4-28H2,1-3H3
InChIKeyFHJCXUYAUUQTPJ-UHFFFAOYSA-N
MW408.80 g/mol
LogP11.41
Rot. Bonds25

About 6-methyloctacosane

6-methyloctacosane (PubChem CID 22223942) has the molecular formula C29H60 and a molecular weight of 408.80 g/mol. Its IUPAC name is 6-methyloctacosane.

Molecular Properties

Compound Name6-methyloctacosane
PubChem CID22223942
Molecular FormulaC29H60
Molecular Weight408.80 g/mol
Exact Mass408.47
IUPAC Name6-methyloctacosane
SMILESCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCC
InChIInChI=1S/C29H60/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-29(3)27-25-7-5-2/h29H,4-28H2,1-3H3
InChIKeyFHJCXUYAUUQTPJ-UHFFFAOYSA-N
XLogP11.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.80
LogP ≤ 511.41
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

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
15-methylhentriacontane
CID 6430031

Frequently Asked Questions

What is the IUPAC name of 6-methyloctacosane?
The IUPAC name of 6-methyloctacosane (CID 22223942) is 6-methyloctacosane.
What is the SMILES notation for 6-methyloctacosane?
The canonical SMILES for 6-methyloctacosane is CCCCCCCCCCCCCCCCCCCCCCC(C)CCCCC.
What is the InChIKey of 6-methyloctacosane?
The InChIKey is FHJCXUYAUUQTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-29(3)27-25-7-5-2/h29H,4-28H2,1-3H3.
What are the key properties of 6-methyloctacosane?
6-methyloctacosane has a molecular weight of 408.80 g/mol, XLogP of 11.41, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyloctacosane is sourced from PubChem (CID 22223942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).