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)

C88H110 — CID 158674501

IUPAC1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);1,2,5,6-tetramethylnaphthalene;bis(1,2,4-trimethylbenzene);bis(1,2,6-trimethylnaphthalene)
SMILESCc1cc(C)c(C)c(C)c1.Cc1cc(C)c(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1C.Cc1ccc2c(C)c(C)ccc2c1.Cc1ccc2c(C)c(C)ccc2c1.Cc1ccc2c(C)c(C)ccc2c1C
InChIInChI=1S/C14H16.2C13H14.3C10H14.2C9H12/c1-9-5-7-14-12(4)10(2)6-8-13(14)11(9)3;2*1-9-4-7-13-11(3)10(2)5-6-12(13)8-9;2*1-7-5-8(2)10(4)9(3)6-7;1-7-5-6-8(2)10(4)9(7)3;2*1-7-4-5-8(2)9(3)6-7/h5-8H,1-4H3;2*4-8H,1-3H3;3*5-6H,1-4H3;2*4-6H,1-3H3
InChIKeyIEIQVQUEYNVSSR-UHFFFAOYSA-N
MW1167.85 g/mol
LogP25.59
Rot. Bonds

About 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)

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) (PubChem CID 158674501) has the molecular formula C88H110 and a molecular weight of 1167.85 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);1,2,5,6-tetramethylnaphthalene;bis(1,2,4-trimethylbenzene);bis(1,2,6-trimethylnaphthalene)
PubChem CID158674501
Molecular FormulaC88H110
Molecular Weight1167.85 g/mol
Exact Mass1166.86
IUPAC Name1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);1,2,5,6-tetramethylnaphthalene;bis(1,2,4-trimethylbenzene);bis(1,2,6-trimethylnaphthalene)
SMILESCc1cc(C)c(C)c(C)c1.Cc1cc(C)c(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1C.Cc1ccc2c(C)c(C)ccc2c1.Cc1ccc2c(C)c(C)ccc2c1.Cc1ccc2c(C)c(C)ccc2c1C
InChIInChI=1S/C14H16.2C13H14.3C10H14.2C9H12/c1-9-5-7-14-12(4)10(2)6-8-13(14)11(9)3;2*1-9-4-7-13-11(3)10(2)5-6-12(13)8-9;2*1-7-5-8(2)10(4)9(3)6-7;1-7-5-6-8(2)10(4)9(7)3;2*1-7-4-5-8(2)9(3)6-7/h5-8H,1-4H3;2*4-8H,1-3H3;3*5-6H,1-4H3;2*4-6H,1-3H3
InChIKeyIEIQVQUEYNVSSR-UHFFFAOYSA-N
XLogP25.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001167.85
LogP ≤ 525.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is Cc1cc(C)c(C)c(C)c1.Cc1cc(C)c(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1C.Cc1ccc2c(C)c(C)ccc2c1.Cc1ccc2c(C)c(C)ccc2c1.Cc1ccc2c(C)c(C)ccc2c1C.
What is the InChIKey of 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)?
The InChIKey is IEIQVQUEYNVSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.2C13H14.3C10H14.2C9H12/c1-9-5-7-14-12(4)10(2)6-8-13(14)11(9)3;2*1-9-4-7-13-11(3)10(2)5-6-12(13)8-9;2*1-7-5-8(2)10(4)9(3)6-7;1-7-5-6-8(2)10(4)9(7)3;2*1-7-4-5-8(2)9(3)6-7/h5-8H,1-4H3;2*4-8H,1-3H3;3*5-6H,1-4H3;2*4-6H,1-3H3.
What are the key properties of 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)?
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) has a molecular weight of 1167.85 g/mol, XLogP of 25.59, 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);1,2,5,6-tetramethylnaphthalene;bis(1,2,4-trimethylbenzene);bis(1,2,6-trimethylnaphthalene) is sourced from PubChem (CID 158674501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).