1-chloro-1-[1-(1-chloro-2-methylinden-1-yl)butan-2-yl]-2-methylindene;zirconium

C24H24Cl2Zr — CID 87615290

IUPAC1-chloro-1-[1-(1-chloro-2-methylinden-1-yl)butan-2-yl]-2-methylindene;zirconium
SMILESCCC(CC1(Cl)C(C)=Cc2ccccc21)C1(Cl)C(C)=Cc2ccccc21.[Zr]
InChIInChI=1S/C24H24Cl2.Zr/c1-4-20(24(26)17(3)14-19-10-6-8-12-22(19)24)15-23(25)16(2)13-18-9-5-7-11-21(18)23;/h5-14,20H,4,15H2,1-3H3;
InChIKeyXTRCOKNUBOYXSX-UHFFFAOYSA-N
MW474.59 g/mol
LogP7.50
Rot. Bonds4

About 1-chloro-1-[1-(1-chloro-2-methylinden-1-yl)butan-2-yl]-2-methylindene;zirconium

1-chloro-1-[1-(1-chloro-2-methylinden-1-yl)butan-2-yl]-2-methylindene;zirconium (PubChem CID 87615290) has the molecular formula C24H24Cl2Zr and a molecular weight of 474.59 g/mol. Its IUPAC name is 1-chloro-1-[1-(1-chloro-2-methylinden-1-yl)butan-2-yl]-2-methylindene;zirconium.

Molecular Properties

Compound Name1-chloro-1-[1-(1-chloro-2-methylinden-1-yl)butan-2-yl]-2-methylindene;zirconium
PubChem CID87615290
Molecular FormulaC24H24Cl2Zr
Molecular Weight474.59 g/mol
Exact Mass472.03
IUPAC Name1-chloro-1-[1-(1-chloro-2-methylinden-1-yl)butan-2-yl]-2-methylindene;zirconium
SMILESCCC(CC1(Cl)C(C)=Cc2ccccc21)C1(Cl)C(C)=Cc2ccccc21.[Zr]
InChIInChI=1S/C24H24Cl2.Zr/c1-4-20(24(26)17(3)14-19-10-6-8-12-22(19)24)15-23(25)16(2)13-18-9-5-7-11-21(18)23;/h5-14,20H,4,15H2,1-3H3;
InChIKeyXTRCOKNUBOYXSX-UHFFFAOYSA-N
XLogP7.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.59
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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1,2-dimethyl-1-(4-methylphenyl)indene
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(1R)-1-(2-methylphenyl)propan-1-ol
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CID 70374828
9-(1-cyclopenta-1,3-dien-1-ylbutan-2-yl)-9-(2,3-dichloro-5-methylcyclopenta-2,4-dien-1-yl)fluorene
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1-methyl-2-(3-methylpentan-2-yl)benzene
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1-(4-bromo-1,8-diethyl-15-azatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaen-15-yl)propan-1-ol
CID 21392134

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-[1-(1-chloro-2-methylinden-1-yl)butan-2-yl]-2-methylindene;zirconium?
The IUPAC name of 1-chloro-1-[1-(1-chloro-2-methylinden-1-yl)butan-2-yl]-2-methylindene;zirconium (CID 87615290) is 1-chloro-1-[1-(1-chloro-2-methylinden-1-yl)butan-2-yl]-2-methylindene;zirconium.
What is the SMILES notation for 1-chloro-1-[1-(1-chloro-2-methylinden-1-yl)butan-2-yl]-2-methylindene;zirconium?
The canonical SMILES for 1-chloro-1-[1-(1-chloro-2-methylinden-1-yl)butan-2-yl]-2-methylindene;zirconium is CCC(CC1(Cl)C(C)=Cc2ccccc21)C1(Cl)C(C)=Cc2ccccc21.[Zr].
What is the InChIKey of 1-chloro-1-[1-(1-chloro-2-methylinden-1-yl)butan-2-yl]-2-methylindene;zirconium?
The InChIKey is XTRCOKNUBOYXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2.Zr/c1-4-20(24(26)17(3)14-19-10-6-8-12-22(19)24)15-23(25)16(2)13-18-9-5-7-11-21(18)23;/h5-14,20H,4,15H2,1-3H3;.
What are the key properties of 1-chloro-1-[1-(1-chloro-2-methylinden-1-yl)butan-2-yl]-2-methylindene;zirconium?
1-chloro-1-[1-(1-chloro-2-methylinden-1-yl)butan-2-yl]-2-methylindene;zirconium has a molecular weight of 474.59 g/mol, XLogP of 7.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-[1-(1-chloro-2-methylinden-1-yl)butan-2-yl]-2-methylindene;zirconium is sourced from PubChem (CID 87615290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).