propan-2-olate;titanium(4+);trichloride

C3H7Cl3OTi — CID 77105700

IUPACpropan-2-olate;titanium(4+);trichloride
SMILESCC(C)[O-].[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C3H7O.3ClH.Ti/c1-3(2)4;;;;/h3H,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyFLALGSYYVIWTFQ-UHFFFAOYSA-K
MW213.31 g/mol
LogP-9.24
Rot. Bonds

About propan-2-olate;titanium(4+);trichloride

propan-2-olate;titanium(4+);trichloride (PubChem CID 77105700) has the molecular formula C3H7Cl3OTi and a molecular weight of 213.31 g/mol. Its IUPAC name is propan-2-olate;titanium(4+);trichloride.

Molecular Properties

Compound Namepropan-2-olate;titanium(4+);trichloride
PubChem CID77105700
Molecular FormulaC3H7Cl3OTi
Molecular Weight213.31 g/mol
Exact Mass211.90
IUPAC Namepropan-2-olate;titanium(4+);trichloride
SMILESCC(C)[O-].[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C3H7O.3ClH.Ti/c1-3(2)4;;;;/h3H,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyFLALGSYYVIWTFQ-UHFFFAOYSA-K
XLogP-9.24
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 5-9.24
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(4+);trichloride?
The IUPAC name of propan-2-olate;titanium(4+);trichloride (CID 77105700) is propan-2-olate;titanium(4+);trichloride.
What is the SMILES notation for propan-2-olate;titanium(4+);trichloride?
The canonical SMILES for propan-2-olate;titanium(4+);trichloride is CC(C)[O-].[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of propan-2-olate;titanium(4+);trichloride?
The InChIKey is FLALGSYYVIWTFQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H7O.3ClH.Ti/c1-3(2)4;;;;/h3H,1-2H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of propan-2-olate;titanium(4+);trichloride?
propan-2-olate;titanium(4+);trichloride has a molecular weight of 213.31 g/mol, XLogP of -9.24, 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(4+);trichloride is sourced from PubChem (CID 77105700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).