pentadecane

C15H32 — CID 12391

IUPACpentadecane
SMILESCCCCCCCCCCCCCCC
InChIInChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
InChIKeyYCOZIPAWZNQLMR-UHFFFAOYSA-N
MW212.42 g/mol
LogP6.10
Rot. Bonds12

About pentadecane

pentadecane (PubChem CID 12391) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is pentadecane.

Molecular Properties

Compound Namepentadecane
PubChem CID12391
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Namepentadecane
SMILESCCCCCCCCCCCCCCC
InChIInChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
InChIKeyYCOZIPAWZNQLMR-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 56.10
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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Frequently Asked Questions

What is the IUPAC name of pentadecane?
The IUPAC name of pentadecane (CID 12391) is pentadecane.
What is the SMILES notation for pentadecane?
The canonical SMILES for pentadecane is CCCCCCCCCCCCCCC.
What is the InChIKey of pentadecane?
The InChIKey is YCOZIPAWZNQLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3.
What are the key properties of pentadecane?
pentadecane has a molecular weight of 212.42 g/mol, XLogP of 6.10, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecane is sourced from PubChem (CID 12391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).