4-ethyl-2-methyl-1H-indene;zirconium

C12H14Zr — CID 174371242

IUPAC4-ethyl-2-methyl-1H-indene;zirconium
SMILESCCc1cccc2c1C=C(C)C2.[Zr]
InChIInChI=1S/C12H14.Zr/c1-3-10-5-4-6-11-7-9(2)8-12(10)11;/h4-6,8H,3,7H2,1-2H3;
InChIKeyCSKOGGZASWMIMU-UHFFFAOYSA-N
MW249.47 g/mol
LogP3.21
Rot. Bonds1

About 4-ethyl-2-methyl-1H-indene;zirconium

4-ethyl-2-methyl-1H-indene;zirconium (PubChem CID 174371242) has the molecular formula C12H14Zr and a molecular weight of 249.47 g/mol. Its IUPAC name is 4-ethyl-2-methyl-1H-indene;zirconium.

Molecular Properties

Compound Name4-ethyl-2-methyl-1H-indene;zirconium
PubChem CID174371242
Molecular FormulaC12H14Zr
Molecular Weight249.47 g/mol
Exact Mass248.01
IUPAC Name4-ethyl-2-methyl-1H-indene;zirconium
SMILESCCc1cccc2c1C=C(C)C2.[Zr]
InChIInChI=1S/C12H14.Zr/c1-3-10-5-4-6-11-7-9(2)8-12(10)11;/h4-6,8H,3,7H2,1-2H3;
InChIKeyCSKOGGZASWMIMU-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.47
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-1H-indene;zirconium?
The IUPAC name of 4-ethyl-2-methyl-1H-indene;zirconium (CID 174371242) is 4-ethyl-2-methyl-1H-indene;zirconium.
What is the SMILES notation for 4-ethyl-2-methyl-1H-indene;zirconium?
The canonical SMILES for 4-ethyl-2-methyl-1H-indene;zirconium is CCc1cccc2c1C=C(C)C2.[Zr].
What is the InChIKey of 4-ethyl-2-methyl-1H-indene;zirconium?
The InChIKey is CSKOGGZASWMIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.Zr/c1-3-10-5-4-6-11-7-9(2)8-12(10)11;/h4-6,8H,3,7H2,1-2H3;.
What are the key properties of 4-ethyl-2-methyl-1H-indene;zirconium?
4-ethyl-2-methyl-1H-indene;zirconium has a molecular weight of 249.47 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-1H-indene;zirconium is sourced from PubChem (CID 174371242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).