bis(1,2,3,4,5-pentamethylbenzene-6-ide);yttrium(3+)

C22H30Y+ — CID 20626675

IUPACbis(1,2,3,4,5-pentamethylbenzene-6-ide);yttrium(3+)
SMILESCc1[c-]c(C)c(C)c(C)c1C.Cc1[c-]c(C)c(C)c(C)c1C.[Y+3]
InChIInChI=1S/2C11H15.Y/c2*1-7-6-8(2)10(4)11(5)9(7)3;/h2*1-5H3;/q2*-1;+3
InChIKeySZDMNACUVQPVOM-UHFFFAOYSA-N
MW383.39 g/mol
LogP6.06
Rot. Bonds

About bis(1,2,3,4,5-pentamethylbenzene-6-ide);yttrium(3+)

bis(1,2,3,4,5-pentamethylbenzene-6-ide);yttrium(3+) (PubChem CID 20626675) has the molecular formula C22H30Y+ and a molecular weight of 383.39 g/mol. Its IUPAC name is bis(1,2,3,4,5-pentamethylbenzene-6-ide);yttrium(3+).

Molecular Properties

Compound Namebis(1,2,3,4,5-pentamethylbenzene-6-ide);yttrium(3+)
PubChem CID20626675
Molecular FormulaC22H30Y+
Molecular Weight383.39 g/mol
Exact Mass383.14
IUPAC Namebis(1,2,3,4,5-pentamethylbenzene-6-ide);yttrium(3+)
SMILESCc1[c-]c(C)c(C)c(C)c1C.Cc1[c-]c(C)c(C)c(C)c1C.[Y+3]
InChIInChI=1S/2C11H15.Y/c2*1-7-6-8(2)10(4)11(5)9(7)3;/h2*1-5H3;/q2*-1;+3
InChIKeySZDMNACUVQPVOM-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.39
LogP ≤ 56.06
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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Frequently Asked Questions

What is the IUPAC name of bis(1,2,3,4,5-pentamethylbenzene-6-ide);yttrium(3+)?
The IUPAC name of bis(1,2,3,4,5-pentamethylbenzene-6-ide);yttrium(3+) (CID 20626675) is bis(1,2,3,4,5-pentamethylbenzene-6-ide);yttrium(3+).
What is the SMILES notation for bis(1,2,3,4,5-pentamethylbenzene-6-ide);yttrium(3+)?
The canonical SMILES for bis(1,2,3,4,5-pentamethylbenzene-6-ide);yttrium(3+) is Cc1[c-]c(C)c(C)c(C)c1C.Cc1[c-]c(C)c(C)c(C)c1C.[Y+3].
What is the InChIKey of bis(1,2,3,4,5-pentamethylbenzene-6-ide);yttrium(3+)?
The InChIKey is SZDMNACUVQPVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H15.Y/c2*1-7-6-8(2)10(4)11(5)9(7)3;/h2*1-5H3;/q2*-1;+3.
What are the key properties of bis(1,2,3,4,5-pentamethylbenzene-6-ide);yttrium(3+)?
bis(1,2,3,4,5-pentamethylbenzene-6-ide);yttrium(3+) has a molecular weight of 383.39 g/mol, XLogP of 6.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,3,4,5-pentamethylbenzene-6-ide);yttrium(3+) is sourced from PubChem (CID 20626675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).