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

C30H42 — CID 158514008

IUPAC1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene)
SMILESCc1cc(C)c(C)c(C)c1.Cc1cc(C)c(C)c(C)c1.Cc1ccc(C)c(C)c1C
InChIInChI=1S/3C10H14/c2*1-7-5-8(2)10(4)9(3)6-7;1-7-5-6-8(2)10(4)9(7)3/h3*5-6H,1-4H3
InChIKeyHLKFQUFWGYFABG-UHFFFAOYSA-N
MW402.67 g/mol
LogP8.76
Rot. Bonds

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

1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene) (PubChem CID 158514008) has the molecular formula C30H42 and a molecular weight of 402.67 g/mol. Its IUPAC name is 1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene).

Molecular Properties

Compound Name1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene)
PubChem CID158514008
Molecular FormulaC30H42
Molecular Weight402.67 g/mol
Exact Mass402.33
IUPAC Name1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene)
SMILESCc1cc(C)c(C)c(C)c1.Cc1cc(C)c(C)c(C)c1.Cc1ccc(C)c(C)c1C
InChIInChI=1S/3C10H14/c2*1-7-5-8(2)10(4)9(3)6-7;1-7-5-6-8(2)10(4)9(7)3/h3*5-6H,1-4H3
InChIKeyHLKFQUFWGYFABG-UHFFFAOYSA-N
XLogP8.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.67
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 157447220
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-trimethyl-4-(2,4,6-trimethylphenyl)benzene
CID 91568934
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
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
1,2,3,4-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
2,3,5-trimethylphenol;2,3,6-trimethylphenol
CID 70540570
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
bis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene
CID 158011653
1-(3,4-dimethylphenyl)-2,3,5-trimethylbenzene
CID 143062787
methane;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene
CID 158693883
1,2,4-trimethylbenzene
CID 7247

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene)?
The IUPAC name of 1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene) (CID 158514008) is 1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene).
What is the SMILES notation for 1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene)?
The canonical SMILES for 1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene) is Cc1cc(C)c(C)c(C)c1.Cc1cc(C)c(C)c(C)c1.Cc1ccc(C)c(C)c1C.
What is the InChIKey of 1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene)?
The InChIKey is HLKFQUFWGYFABG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H14/c2*1-7-5-8(2)10(4)9(3)6-7;1-7-5-6-8(2)10(4)9(7)3/h3*5-6H,1-4H3.
What are the key properties of 1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene)?
1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene) has a molecular weight of 402.67 g/mol, XLogP of 8.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene) is sourced from PubChem (CID 158514008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).