ethane;propane;toluene

C12H22 — CID 54475116

IUPACethane;propane;toluene
SMILESCC.CCC.Cc1ccccc1
InChIInChI=1S/C7H8.C3H8.C2H6/c1-7-5-3-2-4-6-7;1-3-2;1-2/h2-6H,1H3;3H2,1-2H3;1-2H3
InChIKeyXKZXKXROLRIVCW-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.44
Rot. Bonds

About ethane;propane;toluene

ethane;propane;toluene (PubChem CID 54475116) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is ethane;propane;toluene.

Molecular Properties

Compound Nameethane;propane;toluene
PubChem CID54475116
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Nameethane;propane;toluene
SMILESCC.CCC.Cc1ccccc1
InChIInChI=1S/C7H8.C3H8.C2H6/c1-7-5-3-2-4-6-7;1-3-2;1-2/h2-6H,1H3;3H2,1-2H3;1-2H3
InChIKeyXKZXKXROLRIVCW-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;propane;toluene?
The IUPAC name of ethane;propane;toluene (CID 54475116) is ethane;propane;toluene.
What is the SMILES notation for ethane;propane;toluene?
The canonical SMILES for ethane;propane;toluene is CC.CCC.Cc1ccccc1.
What is the InChIKey of ethane;propane;toluene?
The InChIKey is XKZXKXROLRIVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C3H8.C2H6/c1-7-5-3-2-4-6-7;1-3-2;1-2/h2-6H,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;propane;toluene?
ethane;propane;toluene has a molecular weight of 166.31 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;toluene is sourced from PubChem (CID 54475116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).