5,9-dimethyloctacosane

C30H62 — CID 86017569

IUPAC5,9-dimethyloctacosane
SMILESCCCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCC
InChIInChI=1S/C30H62/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30(4)28-24-27-29(3)25-8-6-2/h29-30H,5-28H2,1-4H3
InChIKeyPPSNPXLRYXAJQM-UHFFFAOYSA-N
MW422.83 g/mol
LogP11.66
Rot. Bonds25

About 5,9-dimethyloctacosane

5,9-dimethyloctacosane (PubChem CID 86017569) has the molecular formula C30H62 and a molecular weight of 422.83 g/mol. Its IUPAC name is 5,9-dimethyloctacosane.

Molecular Properties

Compound Name5,9-dimethyloctacosane
PubChem CID86017569
Molecular FormulaC30H62
Molecular Weight422.83 g/mol
Exact Mass422.49
IUPAC Name5,9-dimethyloctacosane
SMILESCCCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCC
InChIInChI=1S/C30H62/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30(4)28-24-27-29(3)25-8-6-2/h29-30H,5-28H2,1-4H3
InChIKeyPPSNPXLRYXAJQM-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

5,9,13-trimethylnonatriacontane
CID 6430649
5,9,13,23-tetramethylnonatriacontane
CID 6430646
(5S,9R)-5,9-dimethylpentadecane
CID 12993532
5,17-dimethylnonacosane
CID 56936184
5,13,19-trimethylheptatriacontane
CID 172565409
15,19-dimethylpentatriacontane
CID 521781
8,12,20-trimethyltetracontane
CID 6430679
(15R,19S)-15,19-dimethylheptatriacontane
CID 162889716
5,23-dimethyltritriacontane
CID 71339926
5-methyloctatriacontane
CID 527416
(5S)-5-methylnonadecane
CID 170848384
11,15-dimethylheptacosane
CID 6430046

Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyloctacosane?
The IUPAC name of 5,9-dimethyloctacosane (CID 86017569) is 5,9-dimethyloctacosane.
What is the SMILES notation for 5,9-dimethyloctacosane?
The canonical SMILES for 5,9-dimethyloctacosane is CCCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCC.
What is the InChIKey of 5,9-dimethyloctacosane?
The InChIKey is PPSNPXLRYXAJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30(4)28-24-27-29(3)25-8-6-2/h29-30H,5-28H2,1-4H3.
What are the key properties of 5,9-dimethyloctacosane?
5,9-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 5,9-dimethyloctacosane is sourced from PubChem (CID 86017569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).