1-butyl-1H-indene;zirconium

C13H16Zr — CID 175289141

IUPAC1-butyl-1H-indene;zirconium
SMILESCCCCC1C=Cc2ccccc21.[Zr]
InChIInChI=1S/C13H16.Zr/c1-2-3-6-11-9-10-12-7-4-5-8-13(11)12;/h4-5,7-11H,2-3,6H2,1H3;
InChIKeyXQKHTLXNHMPANS-UHFFFAOYSA-N
MW263.50 g/mol
LogP3.98
Rot. Bonds3

About 1-butyl-1H-indene;zirconium

1-butyl-1H-indene;zirconium (PubChem CID 175289141) has the molecular formula C13H16Zr and a molecular weight of 263.50 g/mol. Its IUPAC name is 1-butyl-1H-indene;zirconium.

Molecular Properties

Compound Name1-butyl-1H-indene;zirconium
PubChem CID175289141
Molecular FormulaC13H16Zr
Molecular Weight263.50 g/mol
Exact Mass262.03
IUPAC Name1-butyl-1H-indene;zirconium
SMILESCCCCC1C=Cc2ccccc21.[Zr]
InChIInChI=1S/C13H16.Zr/c1-2-3-6-11-9-10-12-7-4-5-8-13(11)12;/h4-5,7-11H,2-3,6H2,1H3;
InChIKeyXQKHTLXNHMPANS-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.50
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-1H-indene;zirconium?
The IUPAC name of 1-butyl-1H-indene;zirconium (CID 175289141) is 1-butyl-1H-indene;zirconium.
What is the SMILES notation for 1-butyl-1H-indene;zirconium?
The canonical SMILES for 1-butyl-1H-indene;zirconium is CCCCC1C=Cc2ccccc21.[Zr].
What is the InChIKey of 1-butyl-1H-indene;zirconium?
The InChIKey is XQKHTLXNHMPANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16.Zr/c1-2-3-6-11-9-10-12-7-4-5-8-13(11)12;/h4-5,7-11H,2-3,6H2,1H3;.
What are the key properties of 1-butyl-1H-indene;zirconium?
1-butyl-1H-indene;zirconium has a molecular weight of 263.50 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1H-indene;zirconium is sourced from PubChem (CID 175289141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).