8,13-dimethyloctacosane

C30H62 — CID 71323274

IUPAC8,13-dimethyloctacosane
SMILESCCCCCCCCCCCCCCCC(C)CCCCC(C)CCCCCCC
InChIInChI=1S/C30H62/c1-5-7-9-11-12-13-14-15-16-17-18-20-22-26-30(4)28-24-23-27-29(3)25-21-19-10-8-6-2/h29-30H,5-28H2,1-4H3
InChIKeyXSGXVSOLUZXDGC-UHFFFAOYSA-N
MW422.83 g/mol
LogP11.66
Rot. Bonds25

About 8,13-dimethyloctacosane

8,13-dimethyloctacosane (PubChem CID 71323274) has the molecular formula C30H62 and a molecular weight of 422.83 g/mol. Its IUPAC name is 8,13-dimethyloctacosane.

Molecular Properties

Compound Name8,13-dimethyloctacosane
PubChem CID71323274
Molecular FormulaC30H62
Molecular Weight422.83 g/mol
Exact Mass422.49
IUPAC Name8,13-dimethyloctacosane
SMILESCCCCCCCCCCCCCCCC(C)CCCCC(C)CCCCCCC
InChIInChI=1S/C30H62/c1-5-7-9-11-12-13-14-15-16-17-18-20-22-26-30(4)28-24-23-27-29(3)25-21-19-10-8-6-2/h29-30H,5-28H2,1-4H3
InChIKeyXSGXVSOLUZXDGC-UHFFFAOYSA-N
XLogP11.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.83
LogP ≤ 511.66
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
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 8,13-dimethyloctacosane?
The IUPAC name of 8,13-dimethyloctacosane (CID 71323274) is 8,13-dimethyloctacosane.
What is the SMILES notation for 8,13-dimethyloctacosane?
The canonical SMILES for 8,13-dimethyloctacosane is CCCCCCCCCCCCCCCC(C)CCCCC(C)CCCCCCC.
What is the InChIKey of 8,13-dimethyloctacosane?
The InChIKey is XSGXVSOLUZXDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62/c1-5-7-9-11-12-13-14-15-16-17-18-20-22-26-30(4)28-24-23-27-29(3)25-21-19-10-8-6-2/h29-30H,5-28H2,1-4H3.
What are the key properties of 8,13-dimethyloctacosane?
8,13-dimethyloctacosane has a molecular weight of 422.83 g/mol, XLogP of 11.66, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,13-dimethyloctacosane is sourced from PubChem (CID 71323274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).