bis(2-methylpropane);titanium(2+);trihydrochloride

C8H21Cl3Ti — CID 173293738

IUPACbis(2-methylpropane);titanium(2+);trihydrochloride
SMILESC[C-](C)C.C[C-](C)C.Cl.Cl.Cl.[Ti+2]
InChIInChI=1S/2C4H9.3ClH.Ti/c2*1-4(2)3;;;;/h2*1-3H3;3*1H;/q2*-1;;;;+2
InChIKeyMYINXLSSODGYIG-UHFFFAOYSA-N
MW271.48 g/mol
LogP4.50
Rot. Bonds

About bis(2-methylpropane);titanium(2+);trihydrochloride

bis(2-methylpropane);titanium(2+);trihydrochloride (PubChem CID 173293738) has the molecular formula C8H21Cl3Ti and a molecular weight of 271.48 g/mol. Its IUPAC name is bis(2-methylpropane);titanium(2+);trihydrochloride.

Molecular Properties

Compound Namebis(2-methylpropane);titanium(2+);trihydrochloride
PubChem CID173293738
Molecular FormulaC8H21Cl3Ti
Molecular Weight271.48 g/mol
Exact Mass270.02
IUPAC Namebis(2-methylpropane);titanium(2+);trihydrochloride
SMILESC[C-](C)C.C[C-](C)C.Cl.Cl.Cl.[Ti+2]
InChIInChI=1S/2C4H9.3ClH.Ti/c2*1-4(2)3;;;;/h2*1-3H3;3*1H;/q2*-1;;;;+2
InChIKeyMYINXLSSODGYIG-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.48
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methylpropane);zirconium(2+);dihydrochloride
CID 175566303
CID 135427175
CID 135427175
cesium 2-methylpropane
CID 19086402
carbanide;bis(2-methylpropane);tungsten
CID 167353252
carbanide;bis(2-methylpropane);titanium(4+)
CID 157171224
magnesium;hydride;2-methylpropane
CID 22860213
sodium;2-methylpropane;hydrate
CID 172863032
2-methylpropane;titanium(4+);trichloride
CID 162088142
2-methylpropane;silver;sulfanide
CID 174998637
ethane;2-methylpropane;yttrium
CID 167494260
2-methylpropane;oxotantalum
CID 154320784
carbanide;2-methylpropane;tungsten;tungsten(2+)
CID 59522549

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropane);titanium(2+);trihydrochloride?
The IUPAC name of bis(2-methylpropane);titanium(2+);trihydrochloride (CID 173293738) is bis(2-methylpropane);titanium(2+);trihydrochloride.
What is the SMILES notation for bis(2-methylpropane);titanium(2+);trihydrochloride?
The canonical SMILES for bis(2-methylpropane);titanium(2+);trihydrochloride is C[C-](C)C.C[C-](C)C.Cl.Cl.Cl.[Ti+2].
What is the InChIKey of bis(2-methylpropane);titanium(2+);trihydrochloride?
The InChIKey is MYINXLSSODGYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.3ClH.Ti/c2*1-4(2)3;;;;/h2*1-3H3;3*1H;/q2*-1;;;;+2.
What are the key properties of bis(2-methylpropane);titanium(2+);trihydrochloride?
bis(2-methylpropane);titanium(2+);trihydrochloride has a molecular weight of 271.48 g/mol, XLogP of 4.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropane);titanium(2+);trihydrochloride is sourced from PubChem (CID 173293738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).