ethane;methane;propane;toluene;1,4-xylene

C21H36 — CID 167564675

IUPACethane;methane;propane;toluene;1,4-xylene
SMILESC.CC.CCC.Cc1ccc(C)cc1.Cc1ccccc1
InChIInChI=1S/C8H10.C7H8.C3H8.C2H6.CH4/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-3-2;1-2;/h3-6H,1-2H3;2-6H,1H3;3H2,1-2H3;1-2H3;1H4
InChIKeyFCUUNGQWSSVVSX-UHFFFAOYSA-N
MW288.52 g/mol
LogP7.38
Rot. Bonds

About ethane;methane;propane;toluene;1,4-xylene

ethane;methane;propane;toluene;1,4-xylene (PubChem CID 167564675) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is ethane;methane;propane;toluene;1,4-xylene.

Molecular Properties

Compound Nameethane;methane;propane;toluene;1,4-xylene
PubChem CID167564675
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Nameethane;methane;propane;toluene;1,4-xylene
SMILESC.CC.CCC.Cc1ccc(C)cc1.Cc1ccccc1
InChIInChI=1S/C8H10.C7H8.C3H8.C2H6.CH4/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-3-2;1-2;/h3-6H,1-2H3;2-6H,1H3;3H2,1-2H3;1-2H3;1H4
InChIKeyFCUUNGQWSSVVSX-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;propane;toluene;1,4-xylene?
The IUPAC name of ethane;methane;propane;toluene;1,4-xylene (CID 167564675) is ethane;methane;propane;toluene;1,4-xylene.
What is the SMILES notation for ethane;methane;propane;toluene;1,4-xylene?
The canonical SMILES for ethane;methane;propane;toluene;1,4-xylene is C.CC.CCC.Cc1ccc(C)cc1.Cc1ccccc1.
What is the InChIKey of ethane;methane;propane;toluene;1,4-xylene?
The InChIKey is FCUUNGQWSSVVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H8.C3H8.C2H6.CH4/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-3-2;1-2;/h3-6H,1-2H3;2-6H,1H3;3H2,1-2H3;1-2H3;1H4.
What are the key properties of ethane;methane;propane;toluene;1,4-xylene?
ethane;methane;propane;toluene;1,4-xylene has a molecular weight of 288.52 g/mol, XLogP of 7.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;propane;toluene;1,4-xylene is sourced from PubChem (CID 167564675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).