1,3-ditert-butylbenzene-5-ide;yttrium

C14H21Y- — CID 156851219

IUPAC1,3-ditert-butylbenzene-5-ide;yttrium
SMILESCC(C)(C)c1c[c-]cc(C(C)(C)C)c1.[Y]
InChIInChI=1S/C14H21.Y/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;/h8-10H,1-6H3;/q-1;
InChIKeyNITNWXAGHCYYKI-UHFFFAOYSA-N
MW278.23 g/mol
LogP4.08
Rot. Bonds

About 1,3-ditert-butylbenzene-5-ide;yttrium

1,3-ditert-butylbenzene-5-ide;yttrium (PubChem CID 156851219) has the molecular formula C14H21Y- and a molecular weight of 278.23 g/mol. Its IUPAC name is 1,3-ditert-butylbenzene-5-ide;yttrium.

Molecular Properties

Compound Name1,3-ditert-butylbenzene-5-ide;yttrium
PubChem CID156851219
Molecular FormulaC14H21Y-
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name1,3-ditert-butylbenzene-5-ide;yttrium
SMILESCC(C)(C)c1c[c-]cc(C(C)(C)C)c1.[Y]
InChIInChI=1S/C14H21.Y/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;/h8-10H,1-6H3;/q-1;
InChIKeyNITNWXAGHCYYKI-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 54.08
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 1,3-ditert-butylbenzene-5-ide;yttrium?
The IUPAC name of 1,3-ditert-butylbenzene-5-ide;yttrium (CID 156851219) is 1,3-ditert-butylbenzene-5-ide;yttrium.
What is the SMILES notation for 1,3-ditert-butylbenzene-5-ide;yttrium?
The canonical SMILES for 1,3-ditert-butylbenzene-5-ide;yttrium is CC(C)(C)c1c[c-]cc(C(C)(C)C)c1.[Y].
What is the InChIKey of 1,3-ditert-butylbenzene-5-ide;yttrium?
The InChIKey is NITNWXAGHCYYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21.Y/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;/h8-10H,1-6H3;/q-1;.
What are the key properties of 1,3-ditert-butylbenzene-5-ide;yttrium?
1,3-ditert-butylbenzene-5-ide;yttrium has a molecular weight of 278.23 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butylbenzene-5-ide;yttrium is sourced from PubChem (CID 156851219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).