2-methylpropan-1-ol;titanium;dihydrochloride

C4H12Cl2OTi — CID 174321240

IUPAC2-methylpropan-1-ol;titanium;dihydrochloride
SMILESCC(C)CO.Cl.Cl.[Ti]
InChIInChI=1S/C4H10O.2ClH.Ti/c1-4(2)3-5;;;/h4-5H,3H2,1-2H3;2*1H;
InChIKeyLQKOEALCLMTGJW-UHFFFAOYSA-N
MW194.91 g/mol
LogP1.48
Rot. Bonds1

About 2-methylpropan-1-ol;titanium;dihydrochloride

2-methylpropan-1-ol;titanium;dihydrochloride (PubChem CID 174321240) has the molecular formula C4H12Cl2OTi and a molecular weight of 194.91 g/mol. Its IUPAC name is 2-methylpropan-1-ol;titanium;dihydrochloride.

Molecular Properties

Compound Name2-methylpropan-1-ol;titanium;dihydrochloride
PubChem CID174321240
Molecular FormulaC4H12Cl2OTi
Molecular Weight194.91 g/mol
Exact Mass193.97
IUPAC Name2-methylpropan-1-ol;titanium;dihydrochloride
SMILESCC(C)CO.Cl.Cl.[Ti]
InChIInChI=1S/C4H10O.2ClH.Ti/c1-4(2)3-5;;;/h4-5H,3H2,1-2H3;2*1H;
InChIKeyLQKOEALCLMTGJW-UHFFFAOYSA-N
XLogP1.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.91
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-1-ol;titanium;dihydrochloride?
The IUPAC name of 2-methylpropan-1-ol;titanium;dihydrochloride (CID 174321240) is 2-methylpropan-1-ol;titanium;dihydrochloride.
What is the SMILES notation for 2-methylpropan-1-ol;titanium;dihydrochloride?
The canonical SMILES for 2-methylpropan-1-ol;titanium;dihydrochloride is CC(C)CO.Cl.Cl.[Ti].
What is the InChIKey of 2-methylpropan-1-ol;titanium;dihydrochloride?
The InChIKey is LQKOEALCLMTGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.2ClH.Ti/c1-4(2)3-5;;;/h4-5H,3H2,1-2H3;2*1H;.
What are the key properties of 2-methylpropan-1-ol;titanium;dihydrochloride?
2-methylpropan-1-ol;titanium;dihydrochloride has a molecular weight of 194.91 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-1-ol;titanium;dihydrochloride is sourced from PubChem (CID 174321240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).