2-methylpropan-1-olate;titanium(3+);dichloride

C4H9Cl2OTi — CID 170847369

IUPAC2-methylpropan-1-olate;titanium(3+);dichloride
SMILESCC(C)C[O-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C4H9O.2ClH.Ti/c1-4(2)3-5;;;/h4H,3H2,1-2H3;2*1H;/q-1;;;+3/p-2
InChIKeyHEIZQFBPNAVLBQ-UHFFFAOYSA-L
MW191.89 g/mol
LogP-5.99
Rot. Bonds1

About 2-methylpropan-1-olate;titanium(3+);dichloride

2-methylpropan-1-olate;titanium(3+);dichloride (PubChem CID 170847369) has the molecular formula C4H9Cl2OTi and a molecular weight of 191.89 g/mol. Its IUPAC name is 2-methylpropan-1-olate;titanium(3+);dichloride.

Molecular Properties

Compound Name2-methylpropan-1-olate;titanium(3+);dichloride
PubChem CID170847369
Molecular FormulaC4H9Cl2OTi
Molecular Weight191.89 g/mol
Exact Mass190.95
IUPAC Name2-methylpropan-1-olate;titanium(3+);dichloride
SMILESCC(C)C[O-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C4H9O.2ClH.Ti/c1-4(2)3-5;;;/h4H,3H2,1-2H3;2*1H;/q-1;;;+3/p-2
InChIKeyHEIZQFBPNAVLBQ-UHFFFAOYSA-L
XLogP-5.99
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.89
LogP ≤ 5-5.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-1-olate;titanium(3+);dichloride?
The IUPAC name of 2-methylpropan-1-olate;titanium(3+);dichloride (CID 170847369) is 2-methylpropan-1-olate;titanium(3+);dichloride.
What is the SMILES notation for 2-methylpropan-1-olate;titanium(3+);dichloride?
The canonical SMILES for 2-methylpropan-1-olate;titanium(3+);dichloride is CC(C)C[O-].[Cl-].[Cl-].[Ti+3].
What is the InChIKey of 2-methylpropan-1-olate;titanium(3+);dichloride?
The InChIKey is HEIZQFBPNAVLBQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H9O.2ClH.Ti/c1-4(2)3-5;;;/h4H,3H2,1-2H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 2-methylpropan-1-olate;titanium(3+);dichloride?
2-methylpropan-1-olate;titanium(3+);dichloride has a molecular weight of 191.89 g/mol, XLogP of -5.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-1-olate;titanium(3+);dichloride is sourced from PubChem (CID 170847369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).