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

C19H26 — CID 158486906

IUPAC1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene
SMILESCc1cc(C)c(C)cc1C.Cc1cccc(C)c1C
InChIInChI=1S/C10H14.C9H12/c1-7-5-9(3)10(4)6-8(7)2;1-7-5-4-6-8(2)9(7)3/h5-6H,1-4H3;4-6H,1-3H3
InChIKeyHIFBRZDKJQJGNO-UHFFFAOYSA-N
MW254.42 g/mol
LogP5.53
Rot. Bonds

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

1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene (PubChem CID 158486906) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene.

Molecular Properties

Compound Name1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene
PubChem CID158486906
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Name1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene
SMILESCc1cc(C)c(C)cc1C.Cc1cccc(C)c1C
InChIInChI=1S/C10H14.C9H12/c1-7-5-9(3)10(4)6-8(7)2;1-7-5-4-6-8(2)9(7)3/h5-6H,1-4H3;4-6H,1-3H3
InChIKeyHIFBRZDKJQJGNO-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;1,2,3-trimethylbenzene
CID 159605245
ethane;1,2,3-trimethylbenzene
CID 54068667
potassium;1,2,3-trimethylbenzene;chloride
CID 174813799
methane;1,2,3-trimethylbenzene;1,2-xylene
CID 157250417
dichlororuthenium;1,2,3-trimethylbenzene
CID 87163409
methane;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene
CID 158693883
methylsulfinylmethane;1,2,3-trimethylbenzene
CID 174947389
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
phosphenous acid;1,2,3-trimethylbenzene
CID 174913168
phosphoric acid;tris(1,2,3-trimethylbenzene)
CID 175926272
hexane;1,2,3-trimethylbenzene
CID 159405289

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene?
The IUPAC name of 1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene (CID 158486906) is 1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene.
What is the SMILES notation for 1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene?
The canonical SMILES for 1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene is Cc1cc(C)c(C)cc1C.Cc1cccc(C)c1C.
What is the InChIKey of 1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene?
The InChIKey is HIFBRZDKJQJGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C9H12/c1-7-5-9(3)10(4)6-8(7)2;1-7-5-4-6-8(2)9(7)3/h5-6H,1-4H3;4-6H,1-3H3.
What are the key properties of 1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene?
1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene has a molecular weight of 254.42 g/mol, XLogP of 5.53, 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;1,2,3-trimethylbenzene is sourced from PubChem (CID 158486906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).