1,2-dimethylbenzene-5-ide;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2,3-trimethylbenzene-5-ide;1,2,4-trimethylbenzene-3-ide;tris(1,2,4-trimethylbenzene-5-ide);1,2,4-trimethylbenzene-6-ide;heptakis(yttrium)

C80H99Y7-7 — CID 158753726

IUPAC1,2-dimethylbenzene-5-ide;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2,3-trimethylbenzene-5-ide;1,2,4-trimethylbenzene-3-ide;tris(1,2,4-trimethylbenzene-5-ide);1,2,4-trimethylbenzene-6-ide;heptakis(yttrium)
SMILESCc1[c-]c(C)c(C)cc1.Cc1[c-]cc(C)c(C)c1.Cc1[c-]cc(C)c(C)c1.Cc1[c-]cc(C)c(C)c1.Cc1c[c-]c(C)c(C)c1.Cc1c[c-]cc(C)c1C.Cc1c[c-]ccc1C.Cc1ccc(C)c(C)c1.Cc1cccc(C)c1C.[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C9H12.5C9H11.C9H12.C9H11.C8H9.7Y/c6*1-7-4-5-8(2)9(3)6-7;2*1-7-5-4-6-8(2)9(7)3;1-7-5-3-4-6-8(7)2;;;;;;;/h4-6H,1-3H3;3*5-6H,1-3H3;4,6H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;5-6H,1-3H3;3,5-6H,1-2H3;;;;;;;/q;5*-1;;2*-1;;;;;;;
InChIKeyBMLHNHMLKJVGKI-UHFFFAOYSA-N
MW1683.01 g/mol
LogP21.78
Rot. Bonds

About 1,2-dimethylbenzene-5-ide;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2,3-trimethylbenzene-5-ide;1,2,4-trimethylbenzene-3-ide;tris(1,2,4-trimethylbenzene-5-ide);1,2,4-trimethylbenzene-6-ide;heptakis(yttrium)

1,2-dimethylbenzene-5-ide;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2,3-trimethylbenzene-5-ide;1,2,4-trimethylbenzene-3-ide;tris(1,2,4-trimethylbenzene-5-ide);1,2,4-trimethylbenzene-6-ide;heptakis(yttrium) (PubChem CID 158753726) has the molecular formula C80H99Y7-7 and a molecular weight of 1683.01 g/mol. Its IUPAC name is 1,2-dimethylbenzene-5-ide;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2,3-trimethylbenzene-5-ide;1,2,4-trimethylbenzene-3-ide;tris(1,2,4-trimethylbenzene-5-ide);1,2,4-trimethylbenzene-6-ide;heptakis(yttrium).

Molecular Properties

Compound Name1,2-dimethylbenzene-5-ide;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2,3-trimethylbenzene-5-ide;1,2,4-trimethylbenzene-3-ide;tris(1,2,4-trimethylbenzene-5-ide);1,2,4-trimethylbenzene-6-ide;heptakis(yttrium)
PubChem CID158753726
Molecular FormulaC80H99Y7-7
Molecular Weight1683.01 g/mol
Exact Mass1682.12
IUPAC Name1,2-dimethylbenzene-5-ide;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2,3-trimethylbenzene-5-ide;1,2,4-trimethylbenzene-3-ide;tris(1,2,4-trimethylbenzene-5-ide);1,2,4-trimethylbenzene-6-ide;heptakis(yttrium)
SMILESCc1[c-]c(C)c(C)cc1.Cc1[c-]cc(C)c(C)c1.Cc1[c-]cc(C)c(C)c1.Cc1[c-]cc(C)c(C)c1.Cc1c[c-]c(C)c(C)c1.Cc1c[c-]cc(C)c1C.Cc1c[c-]ccc1C.Cc1ccc(C)c(C)c1.Cc1cccc(C)c1C.[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C9H12.5C9H11.C9H12.C9H11.C8H9.7Y/c6*1-7-4-5-8(2)9(3)6-7;2*1-7-5-4-6-8(2)9(7)3;1-7-5-3-4-6-8(7)2;;;;;;;/h4-6H,1-3H3;3*5-6H,1-3H3;4,6H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;5-6H,1-3H3;3,5-6H,1-2H3;;;;;;;/q;5*-1;;2*-1;;;;;;;
InChIKeyBMLHNHMLKJVGKI-UHFFFAOYSA-N
XLogP21.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001683.01
LogP ≤ 521.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1,2-dimethylbenzene-5-ide;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2,3-trimethylbenzene-5-ide;1,2,4-trimethylbenzene-3-ide;tris(1,2,4-trimethylbenzene-5-ide);1,2,4-trimethylbenzene-6-ide;heptakis(yttrium) with MolForge

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Related Compounds

methane;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene
CID 158693883
carbanide;1,4-dimethylbenzene-6-ide;rhenium;rhodium;rutherfordium;1,2,4-trimethylbenzene;yttrium
CID 159405287
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
1,2,4-trimethylbenzene
CID 7247
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
1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene
CID 158486906
1,1'-biphenyl;ethane;naphthalene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene
CID 159707891
magnesium;1,4-dimethylbenzene-6-ide;chloride
CID 3018290
bis(2-methylbenzene-4-id-1-amine);yttrium
CID 58340340

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylbenzene-5-ide;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2,3-trimethylbenzene-5-ide;1,2,4-trimethylbenzene-3-ide;tris(1,2,4-trimethylbenzene-5-ide);1,2,4-trimethylbenzene-6-ide;heptakis(yttrium)?
The IUPAC name of 1,2-dimethylbenzene-5-ide;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2,3-trimethylbenzene-5-ide;1,2,4-trimethylbenzene-3-ide;tris(1,2,4-trimethylbenzene-5-ide);1,2,4-trimethylbenzene-6-ide;heptakis(yttrium) (CID 158753726) is 1,2-dimethylbenzene-5-ide;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2,3-trimethylbenzene-5-ide;1,2,4-trimethylbenzene-3-ide;tris(1,2,4-trimethylbenzene-5-ide);1,2,4-trimethylbenzene-6-ide;heptakis(yttrium).
What is the SMILES notation for 1,2-dimethylbenzene-5-ide;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2,3-trimethylbenzene-5-ide;1,2,4-trimethylbenzene-3-ide;tris(1,2,4-trimethylbenzene-5-ide);1,2,4-trimethylbenzene-6-ide;heptakis(yttrium)?
The canonical SMILES for 1,2-dimethylbenzene-5-ide;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2,3-trimethylbenzene-5-ide;1,2,4-trimethylbenzene-3-ide;tris(1,2,4-trimethylbenzene-5-ide);1,2,4-trimethylbenzene-6-ide;heptakis(yttrium) is Cc1[c-]c(C)c(C)cc1.Cc1[c-]cc(C)c(C)c1.Cc1[c-]cc(C)c(C)c1.Cc1[c-]cc(C)c(C)c1.Cc1c[c-]c(C)c(C)c1.Cc1c[c-]cc(C)c1C.Cc1c[c-]ccc1C.Cc1ccc(C)c(C)c1.Cc1cccc(C)c1C.[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 1,2-dimethylbenzene-5-ide;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2,3-trimethylbenzene-5-ide;1,2,4-trimethylbenzene-3-ide;tris(1,2,4-trimethylbenzene-5-ide);1,2,4-trimethylbenzene-6-ide;heptakis(yttrium)?
The InChIKey is BMLHNHMLKJVGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.5C9H11.C9H12.C9H11.C8H9.7Y/c6*1-7-4-5-8(2)9(3)6-7;2*1-7-5-4-6-8(2)9(7)3;1-7-5-3-4-6-8(7)2;;;;;;;/h4-6H,1-3H3;3*5-6H,1-3H3;4,6H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;5-6H,1-3H3;3,5-6H,1-2H3;;;;;;;/q;5*-1;;2*-1;;;;;;;.
What are the key properties of 1,2-dimethylbenzene-5-ide;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2,3-trimethylbenzene-5-ide;1,2,4-trimethylbenzene-3-ide;tris(1,2,4-trimethylbenzene-5-ide);1,2,4-trimethylbenzene-6-ide;heptakis(yttrium)?
1,2-dimethylbenzene-5-ide;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2,3-trimethylbenzene-5-ide;1,2,4-trimethylbenzene-3-ide;tris(1,2,4-trimethylbenzene-5-ide);1,2,4-trimethylbenzene-6-ide;heptakis(yttrium) has a molecular weight of 1683.01 g/mol, XLogP of 21.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylbenzene-5-ide;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2,3-trimethylbenzene-5-ide;1,2,4-trimethylbenzene-3-ide;tris(1,2,4-trimethylbenzene-5-ide);1,2,4-trimethylbenzene-6-ide;heptakis(yttrium) is sourced from PubChem (CID 158753726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).