7,13-dimethylnonatriacontane

C41H84 — CID 91752073

IUPAC7,13-dimethylnonatriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCCC(C)CCCCCC
InChIInChI=1S/C41H84/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-33-37-41(4)39-35-31-34-38-40(3)36-32-10-8-6-2/h40-41H,5-39H2,1-4H3
InChIKeyPQICEKZMTWQGFQ-UHFFFAOYSA-N
MW577.12 g/mol
LogP15.95
Rot. Bonds36

About 7,13-dimethylnonatriacontane

7,13-dimethylnonatriacontane (PubChem CID 91752073) has the molecular formula C41H84 and a molecular weight of 577.12 g/mol. Its IUPAC name is 7,13-dimethylnonatriacontane.

Molecular Properties

Compound Name7,13-dimethylnonatriacontane
PubChem CID91752073
Molecular FormulaC41H84
Molecular Weight577.12 g/mol
Exact Mass576.66
IUPAC Name7,13-dimethylnonatriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCCC(C)CCCCCC
InChIInChI=1S/C41H84/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-33-37-41(4)39-35-31-34-38-40(3)36-32-10-8-6-2/h40-41H,5-39H2,1-4H3
InChIKeyPQICEKZMTWQGFQ-UHFFFAOYSA-N
XLogP15.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds36
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.12
LogP ≤ 515.95
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-dimethylnonatriacontane?
The IUPAC name of 7,13-dimethylnonatriacontane (CID 91752073) is 7,13-dimethylnonatriacontane.
What is the SMILES notation for 7,13-dimethylnonatriacontane?
The canonical SMILES for 7,13-dimethylnonatriacontane is CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCCC(C)CCCCCC.
What is the InChIKey of 7,13-dimethylnonatriacontane?
The InChIKey is PQICEKZMTWQGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H84/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-33-37-41(4)39-35-31-34-38-40(3)36-32-10-8-6-2/h40-41H,5-39H2,1-4H3.
What are the key properties of 7,13-dimethylnonatriacontane?
7,13-dimethylnonatriacontane has a molecular weight of 577.12 g/mol, XLogP of 15.95, 36 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,13-dimethylnonatriacontane is sourced from PubChem (CID 91752073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).