1,2,3,5-tetramethylbenzene-4,6-diide;tetradecakis(yttrium)

C10H12Y14-2 — CID 21335492

IUPAC1,2,3,5-tetramethylbenzene-4,6-diide;tetradecakis(yttrium)
SMILESCc1[c-]c(C)c(C)c(C)[c-]1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C10H12.14Y/c1-7-5-8(2)10(4)9(3)6-7;;;;;;;;;;;;;;/h1-4H3;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;
InChIKeyXTIOIMFGUYQPMM-UHFFFAOYSA-N
MW1376.89 g/mol
LogP2.49
Rot. Bonds

About 1,2,3,5-tetramethylbenzene-4,6-diide;tetradecakis(yttrium)

1,2,3,5-tetramethylbenzene-4,6-diide;tetradecakis(yttrium) (PubChem CID 21335492) has the molecular formula C10H12Y14-2 and a molecular weight of 1376.89 g/mol. Its IUPAC name is 1,2,3,5-tetramethylbenzene-4,6-diide;tetradecakis(yttrium).

Molecular Properties

Compound Name1,2,3,5-tetramethylbenzene-4,6-diide;tetradecakis(yttrium)
PubChem CID21335492
Molecular FormulaC10H12Y14-2
Molecular Weight1376.89 g/mol
Exact Mass1376.78
IUPAC Name1,2,3,5-tetramethylbenzene-4,6-diide;tetradecakis(yttrium)
SMILESCc1[c-]c(C)c(C)c(C)[c-]1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C10H12.14Y/c1-7-5-8(2)10(4)9(3)6-7;;;;;;;;;;;;;;/h1-4H3;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;
InChIKeyXTIOIMFGUYQPMM-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001376.89
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,5-Tetramethylhexa-2,4-diene
CID 635468
1,2,3,4-Tetramethyl-1,3-cyclobutadiene
CID 189856
Magnesium bromide 2,3,4,5,6-pentamethylbenzen-1-ide (1/1/1)
CID 11196065
1,3-Dimethylbenzene-2-ide;yttrium
CID 57857602
CID 154723318
CID 154723318
Magnesium;1,2,3,4,5-pentamethylbenzene-6-ide;bromide
CID 15974060
(4E)-2,3,4,5-tetramethylhepta-2,4-diene
CID 18738646
1,4-Dimethylbenzene-3,5-diide;undecakis(yttrium)
CID 20593650
Carbanide;1,2,3,4,5-pentamethylbenzene-6-ide;vanadium(2+)
CID 20672733
1,4-Dimethylbenzene-3,5-diide;heptakis(yttrium)
CID 21053143
Lithium 1,2,3,4,5-pentamethylbenzene-6-ide
CID 21335191
1,2,4-Trimethylbenzene-3-ide;tetrakis(yttrium)
CID 22090392

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetramethylbenzene-4,6-diide;tetradecakis(yttrium)?
The IUPAC name of 1,2,3,5-tetramethylbenzene-4,6-diide;tetradecakis(yttrium) (CID 21335492) is 1,2,3,5-tetramethylbenzene-4,6-diide;tetradecakis(yttrium).
What is the SMILES notation for 1,2,3,5-tetramethylbenzene-4,6-diide;tetradecakis(yttrium)?
The canonical SMILES for 1,2,3,5-tetramethylbenzene-4,6-diide;tetradecakis(yttrium) is Cc1[c-]c(C)c(C)c(C)[c-]1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 1,2,3,5-tetramethylbenzene-4,6-diide;tetradecakis(yttrium)?
The InChIKey is XTIOIMFGUYQPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.14Y/c1-7-5-8(2)10(4)9(3)6-7;;;;;;;;;;;;;;/h1-4H3;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;.
What are the key properties of 1,2,3,5-tetramethylbenzene-4,6-diide;tetradecakis(yttrium)?
1,2,3,5-tetramethylbenzene-4,6-diide;tetradecakis(yttrium) has a molecular weight of 1376.89 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetramethylbenzene-4,6-diide;tetradecakis(yttrium) is sourced from PubChem (CID 21335492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).