dichlorotitanium;bis(methylcyclopentane)

C12H24Cl2Ti — CID 133112774

IUPACdichlorotitanium;bis(methylcyclopentane)
SMILESCC1CCCC1.CC1CCCC1.Cl[Ti]Cl
InChIInChI=1S/2C6H12.2ClH.Ti/c2*1-6-4-2-3-5-6;;;/h2*6H,2-5H2,1H3;2*1H;/q;;;;+2/p-2
InChIKeyZWGSDRXIUBQXPM-UHFFFAOYSA-L
MW287.10 g/mol
LogP5.77
Rot. Bonds

About dichlorotitanium;bis(methylcyclopentane)

dichlorotitanium;bis(methylcyclopentane) (PubChem CID 133112774) has the molecular formula C12H24Cl2Ti and a molecular weight of 287.10 g/mol. Its IUPAC name is dichlorotitanium;bis(methylcyclopentane).

Molecular Properties

Compound Namedichlorotitanium;bis(methylcyclopentane)
PubChem CID133112774
Molecular FormulaC12H24Cl2Ti
Molecular Weight287.10 g/mol
Exact Mass286.07
IUPAC Namedichlorotitanium;bis(methylcyclopentane)
SMILESCC1CCCC1.CC1CCCC1.Cl[Ti]Cl
InChIInChI=1S/2C6H12.2ClH.Ti/c2*1-6-4-2-3-5-6;;;/h2*6H,2-5H2,1H3;2*1H;/q;;;;+2/p-2
InChIKeyZWGSDRXIUBQXPM-UHFFFAOYSA-L
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.10
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 7296
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ethane;methylcyclohexane;methylcyclopentane
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CID 164675975
carbon monoxide;cyclopentane;dichlorotitanium;ethylcyclopentane;methylcyclopentane;ruthenium(2+)
CID 23601188
ethane;methylcyclohexane;dihydrate
CID 144526565

Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;bis(methylcyclopentane)?
The IUPAC name of dichlorotitanium;bis(methylcyclopentane) (CID 133112774) is dichlorotitanium;bis(methylcyclopentane).
What is the SMILES notation for dichlorotitanium;bis(methylcyclopentane)?
The canonical SMILES for dichlorotitanium;bis(methylcyclopentane) is CC1CCCC1.CC1CCCC1.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;bis(methylcyclopentane)?
The InChIKey is ZWGSDRXIUBQXPM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H12.2ClH.Ti/c2*1-6-4-2-3-5-6;;;/h2*6H,2-5H2,1H3;2*1H;/q;;;;+2/p-2.
What are the key properties of dichlorotitanium;bis(methylcyclopentane)?
dichlorotitanium;bis(methylcyclopentane) has a molecular weight of 287.10 g/mol, XLogP of 5.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;bis(methylcyclopentane) is sourced from PubChem (CID 133112774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).