7,13-dimethylhexacosane

C28H58 — CID 91751102

IUPAC7,13-dimethylhexacosane
SMILESCCCCCCCCCCCCCC(C)CCCCCC(C)CCCCCC
InChIInChI=1S/C28H58/c1-5-7-9-11-12-13-14-15-16-17-20-24-28(4)26-22-18-21-25-27(3)23-19-10-8-6-2/h27-28H,5-26H2,1-4H3
InChIKeyHPQBRGYNVITGDS-UHFFFAOYSA-N
MW394.77 g/mol
LogP10.88
Rot. Bonds23

About 7,13-dimethylhexacosane

7,13-dimethylhexacosane (PubChem CID 91751102) has the molecular formula C28H58 and a molecular weight of 394.77 g/mol. Its IUPAC name is 7,13-dimethylhexacosane.

Molecular Properties

Compound Name7,13-dimethylhexacosane
PubChem CID91751102
Molecular FormulaC28H58
Molecular Weight394.77 g/mol
Exact Mass394.45
IUPAC Name7,13-dimethylhexacosane
SMILESCCCCCCCCCCCCCC(C)CCCCCC(C)CCCCCC
InChIInChI=1S/C28H58/c1-5-7-9-11-12-13-14-15-16-17-20-24-28(4)26-22-18-21-25-27(3)23-19-10-8-6-2/h27-28H,5-26H2,1-4H3
InChIKeyHPQBRGYNVITGDS-UHFFFAOYSA-N
XLogP10.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.77
LogP ≤ 510.88
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 7,13-dimethylhexacosane?
The IUPAC name of 7,13-dimethylhexacosane (CID 91751102) is 7,13-dimethylhexacosane.
What is the SMILES notation for 7,13-dimethylhexacosane?
The canonical SMILES for 7,13-dimethylhexacosane is CCCCCCCCCCCCCC(C)CCCCCC(C)CCCCCC.
What is the InChIKey of 7,13-dimethylhexacosane?
The InChIKey is HPQBRGYNVITGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58/c1-5-7-9-11-12-13-14-15-16-17-20-24-28(4)26-22-18-21-25-27(3)23-19-10-8-6-2/h27-28H,5-26H2,1-4H3.
What are the key properties of 7,13-dimethylhexacosane?
7,13-dimethylhexacosane has a molecular weight of 394.77 g/mol, XLogP of 10.88, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,13-dimethylhexacosane is sourced from PubChem (CID 91751102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).