bis(propan-2-olate);titanium(4+);dichloride

C6H14Cl2O2Ti — CID 10130919

IUPACbis(propan-2-olate);titanium(4+);dichloride
SMILESCC(C)[O-].CC(C)[O-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/2C3H7O.2ClH.Ti/c2*1-3(2)4;;;/h2*3H,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyLTEDQKPGOZDGRZ-UHFFFAOYSA-L
MW236.95 g/mol
LogP-6.48
Rot. Bonds

About bis(propan-2-olate);titanium(4+);dichloride

bis(propan-2-olate);titanium(4+);dichloride (PubChem CID 10130919) has the molecular formula C6H14Cl2O2Ti and a molecular weight of 236.95 g/mol. Its IUPAC name is bis(propan-2-olate);titanium(4+);dichloride.

Molecular Properties

Compound Namebis(propan-2-olate);titanium(4+);dichloride
PubChem CID10130919
Molecular FormulaC6H14Cl2O2Ti
Molecular Weight236.95 g/mol
Exact Mass235.99
IUPAC Namebis(propan-2-olate);titanium(4+);dichloride
SMILESCC(C)[O-].CC(C)[O-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/2C3H7O.2ClH.Ti/c2*1-3(2)4;;;/h2*3H,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyLTEDQKPGOZDGRZ-UHFFFAOYSA-L
XLogP-6.48
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.95
LogP ≤ 5-6.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorotitanium triisopropoxide
CID 3084342
Ethanolate;titanium(4+);dichloride
CID 21880322
Bis(propan-2-olate);titanium(3+);chloride
CID 158291851
Propan-2-olate;titanium(3+);dichloride
CID 170847368
Chlorotitaniumtriisopropoxide
CID 11673339
Bis(propan-1-olate);titanium(3+);chloride
CID 101598141
Bis(propan-2-olate);titanium(2+)
CID 12048820
Propan-2-olate;trichlorotitanium(1+)
CID 14268138
Butan-2-yl hypochlorite
CID 57506899
Propan-2-olate;titanium(4+);trichloride
CID 77105700
1-Chlorooxybutan-2-yl hypochlorite
CID 89092883
Aluminum;bis(propan-2-olate);chloride
CID 101615295

Frequently Asked Questions

What is the IUPAC name of bis(propan-2-olate);titanium(4+);dichloride?
The IUPAC name of bis(propan-2-olate);titanium(4+);dichloride (CID 10130919) is bis(propan-2-olate);titanium(4+);dichloride.
What is the SMILES notation for bis(propan-2-olate);titanium(4+);dichloride?
The canonical SMILES for bis(propan-2-olate);titanium(4+);dichloride is CC(C)[O-].CC(C)[O-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of bis(propan-2-olate);titanium(4+);dichloride?
The InChIKey is LTEDQKPGOZDGRZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H7O.2ClH.Ti/c2*1-3(2)4;;;/h2*3H,1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(propan-2-olate);titanium(4+);dichloride?
bis(propan-2-olate);titanium(4+);dichloride has a molecular weight of 236.95 g/mol, XLogP of -6.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(propan-2-olate);titanium(4+);dichloride is sourced from PubChem (CID 10130919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).