3-methylbutan-1-olate;titanium(3+);dichloride

C5H11Cl2OTi — CID 170847371

IUPAC3-methylbutan-1-olate;titanium(3+);dichloride
SMILESCC(C)CC[O-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C5H11O.2ClH.Ti/c1-5(2)3-4-6;;;/h5H,3-4H2,1-2H3;2*1H;/q-1;;;+3/p-2
InChIKeyXGWHHSPKCKOJIL-UHFFFAOYSA-L
MW205.91 g/mol
LogP-5.60
Rot. Bonds2

About 3-methylbutan-1-olate;titanium(3+);dichloride

3-methylbutan-1-olate;titanium(3+);dichloride (PubChem CID 170847371) has the molecular formula C5H11Cl2OTi and a molecular weight of 205.91 g/mol. Its IUPAC name is 3-methylbutan-1-olate;titanium(3+);dichloride.

Molecular Properties

Compound Name3-methylbutan-1-olate;titanium(3+);dichloride
PubChem CID170847371
Molecular FormulaC5H11Cl2OTi
Molecular Weight205.91 g/mol
Exact Mass204.97
IUPAC Name3-methylbutan-1-olate;titanium(3+);dichloride
SMILESCC(C)CC[O-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C5H11O.2ClH.Ti/c1-5(2)3-4-6;;;/h5H,3-4H2,1-2H3;2*1H;/q-1;;;+3/p-2
InChIKeyXGWHHSPKCKOJIL-UHFFFAOYSA-L
XLogP-5.60
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.91
LogP ≤ 5-5.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-1-olate;titanium(3+);dichloride?
The IUPAC name of 3-methylbutan-1-olate;titanium(3+);dichloride (CID 170847371) is 3-methylbutan-1-olate;titanium(3+);dichloride.
What is the SMILES notation for 3-methylbutan-1-olate;titanium(3+);dichloride?
The canonical SMILES for 3-methylbutan-1-olate;titanium(3+);dichloride is CC(C)CC[O-].[Cl-].[Cl-].[Ti+3].
What is the InChIKey of 3-methylbutan-1-olate;titanium(3+);dichloride?
The InChIKey is XGWHHSPKCKOJIL-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H11O.2ClH.Ti/c1-5(2)3-4-6;;;/h5H,3-4H2,1-2H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 3-methylbutan-1-olate;titanium(3+);dichloride?
3-methylbutan-1-olate;titanium(3+);dichloride has a molecular weight of 205.91 g/mol, XLogP of -5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-1-olate;titanium(3+);dichloride is sourced from PubChem (CID 170847371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).