propan-2-olate;titanium(3+);dichloride

C3H7Cl2OTi — CID 170847368

IUPACpropan-2-olate;titanium(3+);dichloride
SMILESCC(C)[O-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C3H7O.2ClH.Ti/c1-3(2)4;;;/h3H,1-2H3;2*1H;/q-1;;;+3/p-2
InChIKeyJUTZGYSJFAXFBY-UHFFFAOYSA-L
MW177.86 g/mol
LogP-6.24
Rot. Bonds

About propan-2-olate;titanium(3+);dichloride

propan-2-olate;titanium(3+);dichloride (PubChem CID 170847368) has the molecular formula C3H7Cl2OTi and a molecular weight of 177.86 g/mol. Its IUPAC name is propan-2-olate;titanium(3+);dichloride.

Molecular Properties

Compound Namepropan-2-olate;titanium(3+);dichloride
PubChem CID170847368
Molecular FormulaC3H7Cl2OTi
Molecular Weight177.86 g/mol
Exact Mass176.94
IUPAC Namepropan-2-olate;titanium(3+);dichloride
SMILESCC(C)[O-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C3H7O.2ClH.Ti/c1-3(2)4;;;/h3H,1-2H3;2*1H;/q-1;;;+3/p-2
InChIKeyJUTZGYSJFAXFBY-UHFFFAOYSA-L
XLogP-6.24
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.86
LogP ≤ 5-6.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propan-2-olate;titanium(3+);dichloride?
The IUPAC name of propan-2-olate;titanium(3+);dichloride (CID 170847368) is propan-2-olate;titanium(3+);dichloride.
What is the SMILES notation for propan-2-olate;titanium(3+);dichloride?
The canonical SMILES for propan-2-olate;titanium(3+);dichloride is CC(C)[O-].[Cl-].[Cl-].[Ti+3].
What is the InChIKey of propan-2-olate;titanium(3+);dichloride?
The InChIKey is JUTZGYSJFAXFBY-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H7O.2ClH.Ti/c1-3(2)4;;;/h3H,1-2H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of propan-2-olate;titanium(3+);dichloride?
propan-2-olate;titanium(3+);dichloride has a molecular weight of 177.86 g/mol, XLogP of -6.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-olate;titanium(3+);dichloride is sourced from PubChem (CID 170847368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).