1-chloro-1-[2-(1-chloro-2-methylinden-1-yl)propan-2-yl]-2-methylindene;titanium

C23H22Cl2Ti — CID 87867247

IUPAC1-chloro-1-[2-(1-chloro-2-methylinden-1-yl)propan-2-yl]-2-methylindene;titanium
SMILESCC1=Cc2ccccc2C1(Cl)C(C)(C)C1(Cl)C(C)=Cc2ccccc21.[Ti]
InChIInChI=1S/C23H22Cl2.Ti/c1-15-13-17-9-5-7-11-19(17)22(15,24)21(3,4)23(25)16(2)14-18-10-6-8-12-20(18)23;/h5-14H,1-4H3;
InChIKeyJGYWFYOXLHPFTA-UHFFFAOYSA-N
MW417.20 g/mol
LogP7.11
Rot. Bonds2

About 1-chloro-1-[2-(1-chloro-2-methylinden-1-yl)propan-2-yl]-2-methylindene;titanium

1-chloro-1-[2-(1-chloro-2-methylinden-1-yl)propan-2-yl]-2-methylindene;titanium (PubChem CID 87867247) has the molecular formula C23H22Cl2Ti and a molecular weight of 417.20 g/mol. Its IUPAC name is 1-chloro-1-[2-(1-chloro-2-methylinden-1-yl)propan-2-yl]-2-methylindene;titanium.

Molecular Properties

Compound Name1-chloro-1-[2-(1-chloro-2-methylinden-1-yl)propan-2-yl]-2-methylindene;titanium
PubChem CID87867247
Molecular FormulaC23H22Cl2Ti
Molecular Weight417.20 g/mol
Exact Mass416.06
IUPAC Name1-chloro-1-[2-(1-chloro-2-methylinden-1-yl)propan-2-yl]-2-methylindene;titanium
SMILESCC1=Cc2ccccc2C1(Cl)C(C)(C)C1(Cl)C(C)=Cc2ccccc21.[Ti]
InChIInChI=1S/C23H22Cl2.Ti/c1-15-13-17-9-5-7-11-19(17)22(15,24)21(3,4)23(25)16(2)14-18-10-6-8-12-20(18)23;/h5-14H,1-4H3;
InChIKeyJGYWFYOXLHPFTA-UHFFFAOYSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.20
LogP ≤ 57.11
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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bis[(2-methyl-1-phenylinden-1-yl)methyl]silane
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chloromethane;toluene
CID 178022822
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CID 174689155
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CID 163216725
1,1-diiodo-2-propan-2-ylindene
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benzene;tetrachloromethane;toluene
CID 172748154
2'-(4-spiro[cyclohexane-1,1'-indene]-2'-ylphenyl)spiro[cyclohexane-1,1'-indene]
CID 21023236

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-[2-(1-chloro-2-methylinden-1-yl)propan-2-yl]-2-methylindene;titanium?
The IUPAC name of 1-chloro-1-[2-(1-chloro-2-methylinden-1-yl)propan-2-yl]-2-methylindene;titanium (CID 87867247) is 1-chloro-1-[2-(1-chloro-2-methylinden-1-yl)propan-2-yl]-2-methylindene;titanium.
What is the SMILES notation for 1-chloro-1-[2-(1-chloro-2-methylinden-1-yl)propan-2-yl]-2-methylindene;titanium?
The canonical SMILES for 1-chloro-1-[2-(1-chloro-2-methylinden-1-yl)propan-2-yl]-2-methylindene;titanium is CC1=Cc2ccccc2C1(Cl)C(C)(C)C1(Cl)C(C)=Cc2ccccc21.[Ti].
What is the InChIKey of 1-chloro-1-[2-(1-chloro-2-methylinden-1-yl)propan-2-yl]-2-methylindene;titanium?
The InChIKey is JGYWFYOXLHPFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2.Ti/c1-15-13-17-9-5-7-11-19(17)22(15,24)21(3,4)23(25)16(2)14-18-10-6-8-12-20(18)23;/h5-14H,1-4H3;.
What are the key properties of 1-chloro-1-[2-(1-chloro-2-methylinden-1-yl)propan-2-yl]-2-methylindene;titanium?
1-chloro-1-[2-(1-chloro-2-methylinden-1-yl)propan-2-yl]-2-methylindene;titanium has a molecular weight of 417.20 g/mol, XLogP of 7.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-[2-(1-chloro-2-methylinden-1-yl)propan-2-yl]-2-methylindene;titanium is sourced from PubChem (CID 87867247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).