1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene

C34H44 — CID 161029481

IUPAC1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
SMILESCc1cc(C)c(C)cc1C.Cc1ccc(C)cc1.Cc1cccc(C)c1.Cc1ccccc1C
InChIInChI=1S/C10H14.3C8H10/c1-7-5-9(3)10(4)6-8(7)2;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2/h5-6H,1-4H3;3*3-6H,1-2H3
InChIKeyTZKJSDIZNKQQRX-UHFFFAOYSA-N
MW452.73 g/mol
LogP9.83
Rot. Bonds

About 1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene

1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene (PubChem CID 161029481) has the molecular formula C34H44 and a molecular weight of 452.73 g/mol. Its IUPAC name is 1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Name1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
PubChem CID161029481
Molecular FormulaC34H44
Molecular Weight452.73 g/mol
Exact Mass452.34
IUPAC Name1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
SMILESCc1cc(C)c(C)cc1C.Cc1ccc(C)cc1.Cc1cccc(C)c1.Cc1ccccc1C
InChIInChI=1S/C10H14.3C8H10/c1-7-5-9(3)10(4)6-8(7)2;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2/h5-6H,1-4H3;3*3-6H,1-2H3
InChIKeyTZKJSDIZNKQQRX-UHFFFAOYSA-N
XLogP9.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.73
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

toluene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161480766
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
propane;1,2-xylene;1,3-xylene
CID 153377631
ethane;1,3-xylene;1,4-xylene
CID 145425556
methane;1,3-xylene;1,4-xylene
CID 161051420
methane;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene
CID 158693883
2-methylaniline;1,3-xylene;1,4-xylene
CID 159970542
ethylbenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene
CID 174313619
1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161126825
toluene;pentakis(1,2-xylene)
CID 173348315
toluene;bis(1,2-xylene)
CID 174594728

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene?
The IUPAC name of 1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene (CID 161029481) is 1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene.
What is the SMILES notation for 1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene?
The canonical SMILES for 1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene is Cc1cc(C)c(C)cc1C.Cc1ccc(C)cc1.Cc1cccc(C)c1.Cc1ccccc1C.
What is the InChIKey of 1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene?
The InChIKey is TZKJSDIZNKQQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.3C8H10/c1-7-5-9(3)10(4)6-8(7)2;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2/h5-6H,1-4H3;3*3-6H,1-2H3.
What are the key properties of 1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene?
1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene has a molecular weight of 452.73 g/mol, XLogP of 9.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 161029481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).