9,21-dimethyldotriacontane

C34H70 — CID 6430458

IUPAC9,21-dimethyldotriacontane
SMILESCCCCCCCCCCCC(C)CCCCCCCCCCCC(C)CCCCCCCC
InChIInChI=1S/C34H70/c1-5-7-9-11-13-15-18-22-26-31-34(4)32-28-24-20-17-14-16-19-23-27-30-33(3)29-25-21-12-10-8-6-2/h33-34H,5-32H2,1-4H3
InChIKeyWAKFRAJAPWROAU-UHFFFAOYSA-N
MW478.93 g/mol
LogP13.22
Rot. Bonds29

About 9,21-dimethyldotriacontane

9,21-dimethyldotriacontane (PubChem CID 6430458) has the molecular formula C34H70 and a molecular weight of 478.93 g/mol. Its IUPAC name is 9,21-dimethyldotriacontane.

Molecular Properties

Compound Name9,21-dimethyldotriacontane
PubChem CID6430458
Molecular FormulaC34H70
Molecular Weight478.93 g/mol
Exact Mass478.55
IUPAC Name9,21-dimethyldotriacontane
SMILESCCCCCCCCCCCC(C)CCCCCCCCCCCC(C)CCCCCCCC
InChIInChI=1S/C34H70/c1-5-7-9-11-13-15-18-22-26-31-34(4)32-28-24-20-17-14-16-19-23-27-30-33(3)29-25-21-12-10-8-6-2/h33-34H,5-32H2,1-4H3
InChIKeyWAKFRAJAPWROAU-UHFFFAOYSA-N
XLogP13.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds29
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.93
LogP ≤ 513.22
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 9,21-dimethyldotriacontane?
The IUPAC name of 9,21-dimethyldotriacontane (CID 6430458) is 9,21-dimethyldotriacontane.
What is the SMILES notation for 9,21-dimethyldotriacontane?
The canonical SMILES for 9,21-dimethyldotriacontane is CCCCCCCCCCCC(C)CCCCCCCCCCCC(C)CCCCCCCC.
What is the InChIKey of 9,21-dimethyldotriacontane?
The InChIKey is WAKFRAJAPWROAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70/c1-5-7-9-11-13-15-18-22-26-31-34(4)32-28-24-20-17-14-16-19-23-27-30-33(3)29-25-21-12-10-8-6-2/h33-34H,5-32H2,1-4H3.
What are the key properties of 9,21-dimethyldotriacontane?
9,21-dimethyldotriacontane has a molecular weight of 478.93 g/mol, XLogP of 13.22, 29 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,21-dimethyldotriacontane is sourced from PubChem (CID 6430458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).