propane;toluene

C13H24 — CID 91263172

IUPACpropane;toluene
SMILESCCC.CCC.Cc1ccccc1
InChIInChI=1S/C7H8.2C3H8/c1-7-5-3-2-4-6-7;2*1-3-2/h2-6H,1H3;2*3H2,1-2H3
InChIKeyIZWINGAAMWVMCB-UHFFFAOYSA-N
MW180.34 g/mol
LogP4.83
Rot. Bonds

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 Namepropane;toluene
PubChem CID91263172
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Namepropane;toluene
SMILESCCC.CCC.Cc1ccccc1
InChIInChI=1S/C7H8.2C3H8/c1-7-5-3-2-4-6-7;2*1-3-2/h2-6H,1H3;2*3H2,1-2H3
InChIKeyIZWINGAAMWVMCB-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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).