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

C55H74 — CID 162078013

IUPACbis(1,2,3,5-tetramethylbenzene);1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene
SMILESCc1cc(C)c(C)c(C)c1.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)cc(C)c1.Cc1ccc(C)c(C)c1.Cc1cccc(C)c1.Cc1cccc(C)c1C
InChIInChI=1S/2C10H14.3C9H12.C8H10/c2*1-7-5-8(2)10(4)9(3)6-7;1-7-4-8(2)6-9(3)5-7;1-7-4-5-8(2)9(3)6-7;1-7-5-4-6-8(2)9(7)3;1-7-4-3-5-8(2)6-7/h2*5-6H,1-4H3;3*4-6H,1-3H3;3-6H,1-2H3
InChIKeyZBYQHAVPENRWQH-UHFFFAOYSA-N
MW735.20 g/mol
LogP15.98
Rot. Bonds

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

bis(1,2,3,5-tetramethylbenzene);1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene (PubChem CID 162078013) has the molecular formula C55H74 and a molecular weight of 735.20 g/mol. Its IUPAC name is bis(1,2,3,5-tetramethylbenzene);1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene.

Molecular Properties

Compound Namebis(1,2,3,5-tetramethylbenzene);1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene
PubChem CID162078013
Molecular FormulaC55H74
Molecular Weight735.20 g/mol
Exact Mass734.58
IUPAC Namebis(1,2,3,5-tetramethylbenzene);1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene
SMILESCc1cc(C)c(C)c(C)c1.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)cc(C)c1.Cc1ccc(C)c(C)c1.Cc1cccc(C)c1.Cc1cccc(C)c1C
InChIInChI=1S/2C10H14.3C9H12.C8H10/c2*1-7-5-8(2)10(4)9(3)6-7;1-7-4-8(2)6-9(3)5-7;1-7-4-5-8(2)9(3)6-7;1-7-5-4-6-8(2)9(7)3;1-7-4-3-5-8(2)6-7/h2*5-6H,1-4H3;3*4-6H,1-3H3;3-6H,1-2H3
InChIKeyZBYQHAVPENRWQH-UHFFFAOYSA-N
XLogP15.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.20
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene
CID 158693883
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
1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 157447220
toluene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161480766
1,1'-biphenyl;ethane;naphthalene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene
CID 159707891
1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161029481
1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene)
CID 158514008
1,2,4-trimethylbenzene
CID 7247
1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;trimethyl-(2-methylphenyl)silane;trimethyl-(3-methylphenyl)silane;trimethyl-(4-methylphenyl)silane;trimethyl-(2-methyl-3-trimethylsilylphenyl)silane
CID 157205321
1,1,2,2,3,3,4,4,5,5-decadeuterio-6-ethylcyclohexane;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 157397698
1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene
CID 158486906

Frequently Asked Questions

What is the IUPAC name of bis(1,2,3,5-tetramethylbenzene);1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene?
The IUPAC name of bis(1,2,3,5-tetramethylbenzene);1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene (CID 162078013) is bis(1,2,3,5-tetramethylbenzene);1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene.
What is the SMILES notation for bis(1,2,3,5-tetramethylbenzene);1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene?
The canonical SMILES for bis(1,2,3,5-tetramethylbenzene);1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene is Cc1cc(C)c(C)c(C)c1.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)cc(C)c1.Cc1ccc(C)c(C)c1.Cc1cccc(C)c1.Cc1cccc(C)c1C.
What is the InChIKey of bis(1,2,3,5-tetramethylbenzene);1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene?
The InChIKey is ZBYQHAVPENRWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14.3C9H12.C8H10/c2*1-7-5-8(2)10(4)9(3)6-7;1-7-4-8(2)6-9(3)5-7;1-7-4-5-8(2)9(3)6-7;1-7-5-4-6-8(2)9(7)3;1-7-4-3-5-8(2)6-7/h2*5-6H,1-4H3;3*4-6H,1-3H3;3-6H,1-2H3.
What are the key properties of bis(1,2,3,5-tetramethylbenzene);1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene?
bis(1,2,3,5-tetramethylbenzene);1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene has a molecular weight of 735.20 g/mol, XLogP of 15.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,3,5-tetramethylbenzene);1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene is sourced from PubChem (CID 162078013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).