7,11-dimethylpentatriacontane

C37H76 — CID 6430674

IUPAC7,11-dimethylpentatriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCC
InChIInChI=1S/C37H76/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-33-37(4)35-31-34-36(3)32-29-10-8-6-2/h36-37H,5-35H2,1-4H3
InChIKeyYMUMIGDFOGNQQO-UHFFFAOYSA-N
MW521.02 g/mol
LogP14.39
Rot. Bonds32

About 7,11-dimethylpentatriacontane

7,11-dimethylpentatriacontane (PubChem CID 6430674) has the molecular formula C37H76 and a molecular weight of 521.02 g/mol. Its IUPAC name is 7,11-dimethylpentatriacontane.

Molecular Properties

Compound Name7,11-dimethylpentatriacontane
PubChem CID6430674
Molecular FormulaC37H76
Molecular Weight521.02 g/mol
Exact Mass520.59
IUPAC Name7,11-dimethylpentatriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCC
InChIInChI=1S/C37H76/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-33-37(4)35-31-34-36(3)32-29-10-8-6-2/h36-37H,5-35H2,1-4H3
InChIKeyYMUMIGDFOGNQQO-UHFFFAOYSA-N
XLogP14.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds32
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.02
LogP ≤ 514.39
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

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
9,13-dimethylnonacosane
CID 6430077

Frequently Asked Questions

What is the IUPAC name of 7,11-dimethylpentatriacontane?
The IUPAC name of 7,11-dimethylpentatriacontane (CID 6430674) is 7,11-dimethylpentatriacontane.
What is the SMILES notation for 7,11-dimethylpentatriacontane?
The canonical SMILES for 7,11-dimethylpentatriacontane is CCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCC.
What is the InChIKey of 7,11-dimethylpentatriacontane?
The InChIKey is YMUMIGDFOGNQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H76/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-33-37(4)35-31-34-36(3)32-29-10-8-6-2/h36-37H,5-35H2,1-4H3.
What are the key properties of 7,11-dimethylpentatriacontane?
7,11-dimethylpentatriacontane has a molecular weight of 521.02 g/mol, XLogP of 14.39, 32 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11-dimethylpentatriacontane is sourced from PubChem (CID 6430674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).