5,15-dimethylpentatriacontane

C37H76 — CID 6430641

IUPAC5,15-dimethylpentatriacontane
SMILESCCCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCC(C)CCCC
InChIInChI=1S/C37H76/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-30-34-37(4)35-31-28-25-22-24-27-29-33-36(3)32-8-6-2/h36-37H,5-35H2,1-4H3
InChIKeyVCUXISXYHWDDPQ-UHFFFAOYSA-N
MW521.02 g/mol
LogP14.39
Rot. Bonds32

About 5,15-dimethylpentatriacontane

5,15-dimethylpentatriacontane (PubChem CID 6430641) has the molecular formula C37H76 and a molecular weight of 521.02 g/mol. Its IUPAC name is 5,15-dimethylpentatriacontane.

Molecular Properties

Compound Name5,15-dimethylpentatriacontane
PubChem CID6430641
Molecular FormulaC37H76
Molecular Weight521.02 g/mol
Exact Mass520.59
IUPAC Name5,15-dimethylpentatriacontane
SMILESCCCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCC(C)CCCC
InChIInChI=1S/C37H76/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-30-34-37(4)35-31-28-25-22-24-27-29-33-36(3)32-8-6-2/h36-37H,5-35H2,1-4H3
InChIKeyVCUXISXYHWDDPQ-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

5,11-dimethylheptacosane
CID 6430065
5-methylicosane
CID 527472
5,17-dimethylnonacosane
CID 56936184
5,13,19-trimethylheptatriacontane
CID 172565409
5,23-dimethyltritriacontane
CID 71339926
5-methyloctatriacontane
CID 527416
(5S)-5-methylnonadecane
CID 170848384
5,8,18,24-tetramethylhentriacontane
CID 6430103
5,9-dimethyloctacosane
CID 86017569
5,9,13-trimethylnonatriacontane
CID 6430649
5,9,13,23-tetramethylnonatriacontane
CID 6430646
(5S,9R)-5,9-dimethylpentadecane
CID 12993532

Frequently Asked Questions

What is the IUPAC name of 5,15-dimethylpentatriacontane?
The IUPAC name of 5,15-dimethylpentatriacontane (CID 6430641) is 5,15-dimethylpentatriacontane.
What is the SMILES notation for 5,15-dimethylpentatriacontane?
The canonical SMILES for 5,15-dimethylpentatriacontane is CCCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCC(C)CCCC.
What is the InChIKey of 5,15-dimethylpentatriacontane?
The InChIKey is VCUXISXYHWDDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H76/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-30-34-37(4)35-31-28-25-22-24-27-29-33-36(3)32-8-6-2/h36-37H,5-35H2,1-4H3.
What are the key properties of 5,15-dimethylpentatriacontane?
5,15-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 5,15-dimethylpentatriacontane is sourced from PubChem (CID 6430641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).