butan-1-ol;titanium(3+);trichloride

C4H10Cl3OTi — CID 22138521

IUPACbutan-1-ol;titanium(3+);trichloride
SMILESCCCCO.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C4H10O.3ClH.Ti/c1-2-3-4-5;;;;/h5H,2-4H2,1H3;3*1H;/q;;;;+3/p-3
InChIKeyWJRLPUPXDIBLMH-UHFFFAOYSA-K
MW228.35 g/mol
LogP-8.21
Rot. Bonds2

About butan-1-ol;titanium(3+);trichloride

butan-1-ol;titanium(3+);trichloride (PubChem CID 22138521) has the molecular formula C4H10Cl3OTi and a molecular weight of 228.35 g/mol. Its IUPAC name is butan-1-ol;titanium(3+);trichloride.

Molecular Properties

Compound Namebutan-1-ol;titanium(3+);trichloride
PubChem CID22138521
Molecular FormulaC4H10Cl3OTi
Molecular Weight228.35 g/mol
Exact Mass226.93
IUPAC Namebutan-1-ol;titanium(3+);trichloride
SMILESCCCCO.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C4H10O.3ClH.Ti/c1-2-3-4-5;;;;/h5H,2-4H2,1H3;3*1H;/q;;;;+3/p-3
InChIKeyWJRLPUPXDIBLMH-UHFFFAOYSA-K
XLogP-8.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 5-8.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;titanium(3+);trichloride?
The IUPAC name of butan-1-ol;titanium(3+);trichloride (CID 22138521) is butan-1-ol;titanium(3+);trichloride.
What is the SMILES notation for butan-1-ol;titanium(3+);trichloride?
The canonical SMILES for butan-1-ol;titanium(3+);trichloride is CCCCO.[Cl-].[Cl-].[Cl-].[Ti+3].
What is the InChIKey of butan-1-ol;titanium(3+);trichloride?
The InChIKey is WJRLPUPXDIBLMH-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H10O.3ClH.Ti/c1-2-3-4-5;;;;/h5H,2-4H2,1H3;3*1H;/q;;;;+3/p-3.
What are the key properties of butan-1-ol;titanium(3+);trichloride?
butan-1-ol;titanium(3+);trichloride has a molecular weight of 228.35 g/mol, XLogP of -8.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;titanium(3+);trichloride is sourced from PubChem (CID 22138521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).