2-methyl-5-propyltridecane

C17H36 — CID 123255718

IUPAC2-methyl-5-propyltridecane
SMILESCCCCCCCCC(CCC)CCC(C)C
InChIInChI=1S/C17H36/c1-5-7-8-9-10-11-13-17(12-6-2)15-14-16(3)4/h16-17H,5-15H2,1-4H3
InChIKeyOJJCCBOZCXKHCZ-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.59
Rot. Bonds12

About 2-methyl-5-propyltridecane

2-methyl-5-propyltridecane (PubChem CID 123255718) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 2-methyl-5-propyltridecane.

Molecular Properties

Compound Name2-methyl-5-propyltridecane
PubChem CID123255718
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name2-methyl-5-propyltridecane
SMILESCCCCCCCCC(CCC)CCC(C)C
InChIInChI=1S/C17H36/c1-5-7-8-9-10-11-13-17(12-6-2)15-14-16(3)4/h16-17H,5-15H2,1-4H3
InChIKeyOJJCCBOZCXKHCZ-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.59
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

2-methyl-6-propyldodecane
CID 545626
(5R)-2-methyl-5-propylnonane
CID 162842430
ethane;2-methyl-5-propylnonane
CID 171073854
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
6-propyltetracosane
CID 91039357
16-propylhexatriacontane
CID 91313942
13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
5-propylpentacosane
CID 91493421
2,8-dimethyl-5-propylnonane
CID 57014492

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propyltridecane?
The IUPAC name of 2-methyl-5-propyltridecane (CID 123255718) is 2-methyl-5-propyltridecane.
What is the SMILES notation for 2-methyl-5-propyltridecane?
The canonical SMILES for 2-methyl-5-propyltridecane is CCCCCCCCC(CCC)CCC(C)C.
What is the InChIKey of 2-methyl-5-propyltridecane?
The InChIKey is OJJCCBOZCXKHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-5-7-8-9-10-11-13-17(12-6-2)15-14-16(3)4/h16-17H,5-15H2,1-4H3.
What are the key properties of 2-methyl-5-propyltridecane?
2-methyl-5-propyltridecane has a molecular weight of 240.47 g/mol, XLogP of 6.59, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propyltridecane is sourced from PubChem (CID 123255718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).