5-(2-methylpropyl)-2-propan-2-yl-1H-indene;zirconium

C16H22Zr — CID 174563296

IUPAC5-(2-methylpropyl)-2-propan-2-yl-1H-indene;zirconium
SMILESCC(C)Cc1ccc2c(c1)C=C(C(C)C)C2.[Zr]
InChIInChI=1S/C16H22.Zr/c1-11(2)7-13-5-6-14-9-15(12(3)4)10-16(14)8-13;/h5-6,8,10-12H,7,9H2,1-4H3;
InChIKeyFUVYPGCHSAOJLN-UHFFFAOYSA-N
MW305.58 g/mol
LogP4.48
Rot. Bonds3

About 5-(2-methylpropyl)-2-propan-2-yl-1H-indene;zirconium

5-(2-methylpropyl)-2-propan-2-yl-1H-indene;zirconium (PubChem CID 174563296) has the molecular formula C16H22Zr and a molecular weight of 305.58 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-propan-2-yl-1H-indene;zirconium.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-propan-2-yl-1H-indene;zirconium
PubChem CID174563296
Molecular FormulaC16H22Zr
Molecular Weight305.58 g/mol
Exact Mass304.08
IUPAC Name5-(2-methylpropyl)-2-propan-2-yl-1H-indene;zirconium
SMILESCC(C)Cc1ccc2c(c1)C=C(C(C)C)C2.[Zr]
InChIInChI=1S/C16H22.Zr/c1-11(2)7-13-5-6-14-9-15(12(3)4)10-16(14)8-13;/h5-6,8,10-12H,7,9H2,1-4H3;
InChIKeyFUVYPGCHSAOJLN-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.58
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-propan-2-yl-1H-indene;zirconium?
The IUPAC name of 5-(2-methylpropyl)-2-propan-2-yl-1H-indene;zirconium (CID 174563296) is 5-(2-methylpropyl)-2-propan-2-yl-1H-indene;zirconium.
What is the SMILES notation for 5-(2-methylpropyl)-2-propan-2-yl-1H-indene;zirconium?
The canonical SMILES for 5-(2-methylpropyl)-2-propan-2-yl-1H-indene;zirconium is CC(C)Cc1ccc2c(c1)C=C(C(C)C)C2.[Zr].
What is the InChIKey of 5-(2-methylpropyl)-2-propan-2-yl-1H-indene;zirconium?
The InChIKey is FUVYPGCHSAOJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22.Zr/c1-11(2)7-13-5-6-14-9-15(12(3)4)10-16(14)8-13;/h5-6,8,10-12H,7,9H2,1-4H3;.
What are the key properties of 5-(2-methylpropyl)-2-propan-2-yl-1H-indene;zirconium?
5-(2-methylpropyl)-2-propan-2-yl-1H-indene;zirconium has a molecular weight of 305.58 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-propan-2-yl-1H-indene;zirconium is sourced from PubChem (CID 174563296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).