tridecane

C13H28 — CID 12388

IUPACtridecane
SMILESCCCCCCCCCCCCC
InChIInChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3
InChIKeyIIYFAKIEWZDVMP-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.32
Rot. Bonds10

About tridecane

tridecane (PubChem CID 12388) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is tridecane.

Molecular Properties

Compound Nametridecane
PubChem CID12388
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Nametridecane
SMILESCCCCCCCCCCCCC
InChIInChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3
InChIKeyIIYFAKIEWZDVMP-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500184.37
LogP ≤ 55.32
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

Heptane
CID 8900
Decane
CID 15600
Octane
CID 356
Nonane
CID 8141
Pentadecane
CID 12391
Hexadecane
CID 11006
Undecane
CID 14257
Dodecane
CID 8182
Tetradecane
CID 12389
Nonadecane
CID 12401
Heptadecane
CID 12398
Octacosane
CID 12408

Frequently Asked Questions

What is the IUPAC name of tridecane?
The IUPAC name of tridecane (CID 12388) is tridecane.
What is the SMILES notation for tridecane?
The canonical SMILES for tridecane is CCCCCCCCCCCCC.
What is the InChIKey of tridecane?
The InChIKey is IIYFAKIEWZDVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3.
What are the key properties of tridecane?
tridecane has a molecular weight of 184.37 g/mol, XLogP of 5.32, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tridecane is sourced from PubChem (CID 12388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).