9,13-dimethylnonacosane

C31H64 — CID 6430077

IUPAC9,13-dimethylnonacosane
SMILESCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCC
InChIInChI=1S/C31H64/c1-5-7-9-11-13-14-15-16-17-18-19-20-22-24-27-31(4)29-25-28-30(3)26-23-21-12-10-8-6-2/h30-31H,5-29H2,1-4H3
InChIKeyIHFOKUGZVRWBAV-UHFFFAOYSA-N
MW436.85 g/mol
LogP12.05
Rot. Bonds26

About 9,13-dimethylnonacosane

9,13-dimethylnonacosane (PubChem CID 6430077) has the molecular formula C31H64 and a molecular weight of 436.85 g/mol. Its IUPAC name is 9,13-dimethylnonacosane.

Molecular Properties

Compound Name9,13-dimethylnonacosane
PubChem CID6430077
Molecular FormulaC31H64
Molecular Weight436.85 g/mol
Exact Mass436.50
IUPAC Name9,13-dimethylnonacosane
SMILESCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCC
InChIInChI=1S/C31H64/c1-5-7-9-11-13-14-15-16-17-18-19-20-22-24-27-31(4)29-25-28-30(3)26-23-21-12-10-8-6-2/h30-31H,5-29H2,1-4H3
InChIKeyIHFOKUGZVRWBAV-UHFFFAOYSA-N
XLogP12.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.85
LogP ≤ 512.05
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

7,11-dimethylpentatriacontane
CID 6430674
15,19-dimethylpentatriacontane
CID 521781
8,12,20-trimethyltetracontane
CID 6430679
(15R,19S)-15,19-dimethylheptatriacontane
CID 162889716
11,15-dimethylheptacosane
CID 6430046
10,14,18-trimethyldotriacontane
CID 86017574
10,14-dimethyltetratriacontane
CID 86017565
11,15-dimethyltritriacontane
CID 521778
6,10-dimethyloctadecane
CID 86144179
6,10,24,28-tetramethyloctatriacontane
CID 6430659
7,11,21-trimethylhentriacontane
CID 6430672
11,15-dimethyloctacosane
CID 71367376

Frequently Asked Questions

What is the IUPAC name of 9,13-dimethylnonacosane?
The IUPAC name of 9,13-dimethylnonacosane (CID 6430077) is 9,13-dimethylnonacosane.
What is the SMILES notation for 9,13-dimethylnonacosane?
The canonical SMILES for 9,13-dimethylnonacosane is CCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCC.
What is the InChIKey of 9,13-dimethylnonacosane?
The InChIKey is IHFOKUGZVRWBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H64/c1-5-7-9-11-13-14-15-16-17-18-19-20-22-24-27-31(4)29-25-28-30(3)26-23-21-12-10-8-6-2/h30-31H,5-29H2,1-4H3.
What are the key properties of 9,13-dimethylnonacosane?
9,13-dimethylnonacosane has a molecular weight of 436.85 g/mol, XLogP of 12.05, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,13-dimethylnonacosane is sourced from PubChem (CID 6430077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).