12,22-dimethylhexatriacontane

C38H78 — CID 6430382

IUPAC12,22-dimethylhexatriacontane
SMILESCCCCCCCCCCCCCCC(C)CCCCCCCCCC(C)CCCCCCCCCCC
InChIInChI=1S/C38H78/c1-5-7-9-11-13-15-16-17-19-22-26-30-34-38(4)36-32-28-24-20-23-27-31-35-37(3)33-29-25-21-18-14-12-10-8-6-2/h37-38H,5-36H2,1-4H3
InChIKeyWEEFZRCNVLOEJE-UHFFFAOYSA-N
MW535.04 g/mol
LogP14.78
Rot. Bonds33

About 12,22-dimethylhexatriacontane

12,22-dimethylhexatriacontane (PubChem CID 6430382) has the molecular formula C38H78 and a molecular weight of 535.04 g/mol. Its IUPAC name is 12,22-dimethylhexatriacontane.

Molecular Properties

Compound Name12,22-dimethylhexatriacontane
PubChem CID6430382
Molecular FormulaC38H78
Molecular Weight535.04 g/mol
Exact Mass534.61
IUPAC Name12,22-dimethylhexatriacontane
SMILESCCCCCCCCCCCCCCC(C)CCCCCCCCCC(C)CCCCCCCCCCC
InChIInChI=1S/C38H78/c1-5-7-9-11-13-15-16-17-19-22-26-30-34-38(4)36-32-28-24-20-23-27-31-35-37(3)33-29-25-21-18-14-12-10-8-6-2/h37-38H,5-36H2,1-4H3
InChIKeyWEEFZRCNVLOEJE-UHFFFAOYSA-N
XLogP14.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds33
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.04
LogP ≤ 514.78
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 12,22-dimethylhexatriacontane?
The IUPAC name of 12,22-dimethylhexatriacontane (CID 6430382) is 12,22-dimethylhexatriacontane.
What is the SMILES notation for 12,22-dimethylhexatriacontane?
The canonical SMILES for 12,22-dimethylhexatriacontane is CCCCCCCCCCCCCCC(C)CCCCCCCCCC(C)CCCCCCCCCCC.
What is the InChIKey of 12,22-dimethylhexatriacontane?
The InChIKey is WEEFZRCNVLOEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H78/c1-5-7-9-11-13-15-16-17-19-22-26-30-34-38(4)36-32-28-24-20-23-27-31-35-37(3)33-29-25-21-18-14-12-10-8-6-2/h37-38H,5-36H2,1-4H3.
What are the key properties of 12,22-dimethylhexatriacontane?
12,22-dimethylhexatriacontane has a molecular weight of 535.04 g/mol, XLogP of 14.78, 33 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12,22-dimethylhexatriacontane is sourced from PubChem (CID 6430382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).