1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene

C36H48 — CID 157447220

IUPAC1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene
SMILESCc1cc(C)c(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)cc1
InChIInChI=1S/C10H14.2C9H12.C8H10/c1-7-5-8(2)10(4)9(3)6-7;2*1-7-4-5-8(2)9(3)6-7;1-7-3-5-8(2)6-4-7/h5-6H,1-4H3;2*4-6H,1-3H3;3-6H,1-2H3
InChIKeyBSJBZQQQHKWMEG-UHFFFAOYSA-N
MW480.78 g/mol
LogP10.45
Rot. Bonds

About 1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene

1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene (PubChem CID 157447220) has the molecular formula C36H48 and a molecular weight of 480.78 g/mol. Its IUPAC name is 1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene.

Molecular Properties

Compound Name1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene
PubChem CID157447220
Molecular FormulaC36H48
Molecular Weight480.78 g/mol
Exact Mass480.38
IUPAC Name1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene
SMILESCc1cc(C)c(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)cc1
InChIInChI=1S/C10H14.2C9H12.C8H10/c1-7-5-8(2)10(4)9(3)6-7;2*1-7-4-5-8(2)9(3)6-7;1-7-3-5-8(2)6-4-7/h5-6H,1-4H3;2*4-6H,1-3H3;3-6H,1-2H3
InChIKeyBSJBZQQQHKWMEG-UHFFFAOYSA-N
XLogP10.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.78
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,4-trimethylbenzene
CID 7247
bis(1,2,3,5-tetramethylbenzene);1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene
CID 162078013
1,2,3,5-tetramethylbenzene;1,2,4,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 159639769
1,2,3,4-tetramethylbenzene;1,2,3,5-tetramethylbenzene;1,2,4,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene;tris(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;1,3-xylene;1,4-xylene
CID 158819449
1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene)
CID 158514008
azane;1,2,4-trimethylbenzene;hydrochloride
CID 174988554
ethane;propane;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 144816879
ethane;fluoromethane;1,2,4-trimethylbenzene
CID 143343895
formonitrile;1,2,4-trimethylbenzene
CID 90728107
1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);1,2,5,6-tetramethylnaphthalene;bis(1,2,4-trimethylbenzene);bis(1,2,6-trimethylnaphthalene)
CID 158674501
1-(3,4-dimethylphenyl)-2,3,5-trimethylbenzene
CID 143062787
methane;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene
CID 158693883

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene?
The IUPAC name of 1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene (CID 157447220) is 1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene.
What is the SMILES notation for 1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene?
The canonical SMILES for 1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene is Cc1cc(C)c(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)cc1.
What is the InChIKey of 1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene?
The InChIKey is BSJBZQQQHKWMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.2C9H12.C8H10/c1-7-5-8(2)10(4)9(3)6-7;2*1-7-4-5-8(2)9(3)6-7;1-7-3-5-8(2)6-4-7/h5-6H,1-4H3;2*4-6H,1-3H3;3-6H,1-2H3.
What are the key properties of 1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene?
1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene has a molecular weight of 480.78 g/mol, XLogP of 10.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene is sourced from PubChem (CID 157447220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).