propane;toluene

C27H40 — CID 91364516

IUPACpropane;toluene
SMILESCCC.CCC.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/3C7H8.2C3H8/c3*1-7-5-3-2-4-6-7;2*1-3-2/h3*2-6H,1H3;2*3H2,1-2H3
InChIKeyYWCRXQIQNGBCTQ-UHFFFAOYSA-N
MW364.62 g/mol
LogP8.82
Rot. Bonds

About propane;toluene

propane;toluene (PubChem CID 91364516) has the molecular formula C27H40 and a molecular weight of 364.62 g/mol. Its IUPAC name is propane;toluene.

Molecular Properties

Compound Namepropane;toluene
PubChem CID91364516
Molecular FormulaC27H40
Molecular Weight364.62 g/mol
Exact Mass364.31
IUPAC Namepropane;toluene
SMILESCCC.CCC.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/3C7H8.2C3H8/c3*1-7-5-3-2-4-6-7;2*1-3-2/h3*2-6H,1H3;2*3H2,1-2H3
InChIKeyYWCRXQIQNGBCTQ-UHFFFAOYSA-N
XLogP8.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 58.82
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 91364516) is propane;toluene.
What is the SMILES notation for propane;toluene?
The canonical SMILES for propane;toluene is CCC.CCC.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of propane;toluene?
The InChIKey is YWCRXQIQNGBCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H8.2C3H8/c3*1-7-5-3-2-4-6-7;2*1-3-2/h3*2-6H,1H3;2*3H2,1-2H3.
What are the key properties of propane;toluene?
propane;toluene has a molecular weight of 364.62 g/mol, XLogP of 8.82, 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 91364516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).