2-tert-butyl-1H-indene;zirconium

C13H16Zr — CID 159357994

IUPAC2-tert-butyl-1H-indene;zirconium
SMILESCC(C)(C)C1=Cc2ccccc2C1.[Zr]
InChIInChI=1S/C13H16.Zr/c1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;/h4-8H,9H2,1-3H3;
InChIKeyLIEAHLOUDPQMFZ-UHFFFAOYSA-N
MW263.50 g/mol
LogP3.67
Rot. Bonds

About 2-tert-butyl-1H-indene;zirconium

2-tert-butyl-1H-indene;zirconium (PubChem CID 159357994) has the molecular formula C13H16Zr and a molecular weight of 263.50 g/mol. Its IUPAC name is 2-tert-butyl-1H-indene;zirconium.

Molecular Properties

Compound Name2-tert-butyl-1H-indene;zirconium
PubChem CID159357994
Molecular FormulaC13H16Zr
Molecular Weight263.50 g/mol
Exact Mass262.03
IUPAC Name2-tert-butyl-1H-indene;zirconium
SMILESCC(C)(C)C1=Cc2ccccc2C1.[Zr]
InChIInChI=1S/C13H16.Zr/c1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;/h4-8H,9H2,1-3H3;
InChIKeyLIEAHLOUDPQMFZ-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-indene;zirconium?
The IUPAC name of 2-tert-butyl-1H-indene;zirconium (CID 159357994) is 2-tert-butyl-1H-indene;zirconium.
What is the SMILES notation for 2-tert-butyl-1H-indene;zirconium?
The canonical SMILES for 2-tert-butyl-1H-indene;zirconium is CC(C)(C)C1=Cc2ccccc2C1.[Zr].
What is the InChIKey of 2-tert-butyl-1H-indene;zirconium?
The InChIKey is LIEAHLOUDPQMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16.Zr/c1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;/h4-8H,9H2,1-3H3;.
What are the key properties of 2-tert-butyl-1H-indene;zirconium?
2-tert-butyl-1H-indene;zirconium has a molecular weight of 263.50 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-indene;zirconium is sourced from PubChem (CID 159357994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).