Propane;toluene

C₁₃H₂₄ — CID 91263172

About Propane;toluene

Propane;toluene (PubChem CID 91263172) has the molecular formula C₁₃H₂₄ and a molecular weight of 180.34 g/mol. Its IUPAC name is propane;toluene.

Molecular Properties

• Compound Name: Propane;toluene
• PubChem CID: 91263172
• Molecular Formula: C₁₃H₂₄
• Molecular Weight: 180.34 g/mol
• Exact Mass: 180.19
• IUPAC Name: propane;toluene
• SMILES: CCC.CCC.Cc1ccccc1
• InChI: InChI=1S/C7H8.2C3H8/c1-7-5-3-2-4-6-7;2*1-3-2/h2-6H,1H3;2*3H2,1-2H3
• InChIKey: IZWINGAAMWVMCB-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 0.00 Ų
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	180.34
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of Propane;toluene?

The IUPAC name of Propane;toluene (CID 91263172) is propane;toluene.

What is the SMILES notation for Propane;toluene?

The canonical SMILES for Propane;toluene is CCC.CCC.Cc1ccccc1.

What is the InChIKey of Propane;toluene?

The InChIKey is IZWINGAAMWVMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.2C3H8/c1-7-5-3-2-4-6-7;2*1-3-2/h2-6H,1H3;2*3H2,1-2H3.

What are the key properties of Propane;toluene?

Propane;toluene has a molecular weight of 180.34 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Propane;toluene is sourced from PubChem (CID 91263172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 91263172 — identifiers, structure, computed properties (public domain)

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