11,15-dimethyltritriacontane

C35H72 — CID 521778

IUPAC11,15-dimethyltritriacontane
SMILESCCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCC
InChIInChI=1S/C35H72/c1-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-31-35(4)33-29-32-34(3)30-27-25-23-14-12-10-8-6-2/h34-35H,5-33H2,1-4H3
InChIKeyIDJYSQCASWJCLM-UHFFFAOYSA-N
MW492.96 g/mol
LogP13.61
Rot. Bonds30

About 11,15-dimethyltritriacontane

11,15-dimethyltritriacontane (PubChem CID 521778) has the molecular formula C35H72 and a molecular weight of 492.96 g/mol. Its IUPAC name is 11,15-dimethyltritriacontane.

Molecular Properties

Compound Name11,15-dimethyltritriacontane
PubChem CID521778
Molecular FormulaC35H72
Molecular Weight492.96 g/mol
Exact Mass492.56
IUPAC Name11,15-dimethyltritriacontane
SMILESCCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCC
InChIInChI=1S/C35H72/c1-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-31-35(4)33-29-32-34(3)30-27-25-23-14-12-10-8-6-2/h34-35H,5-33H2,1-4H3
InChIKeyIDJYSQCASWJCLM-UHFFFAOYSA-N
XLogP13.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.96
LogP ≤ 513.61
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
6,10-dimethyloctadecane
CID 86144179
6,10,24,28-tetramethyloctatriacontane
CID 6430659
7,11,21-trimethylhentriacontane
CID 6430672
11,15-dimethyloctacosane
CID 71367376
9,13-dimethylnonacosane
CID 6430077

Frequently Asked Questions

What is the IUPAC name of 11,15-dimethyltritriacontane?
The IUPAC name of 11,15-dimethyltritriacontane (CID 521778) is 11,15-dimethyltritriacontane.
What is the SMILES notation for 11,15-dimethyltritriacontane?
The canonical SMILES for 11,15-dimethyltritriacontane is CCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCC.
What is the InChIKey of 11,15-dimethyltritriacontane?
The InChIKey is IDJYSQCASWJCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H72/c1-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-31-35(4)33-29-32-34(3)30-27-25-23-14-12-10-8-6-2/h34-35H,5-33H2,1-4H3.
What are the key properties of 11,15-dimethyltritriacontane?
11,15-dimethyltritriacontane has a molecular weight of 492.96 g/mol, XLogP of 13.61, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,15-dimethyltritriacontane is sourced from PubChem (CID 521778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).