hexane;titanium(3+);trichloride

C6H14Cl3Ti — CID 163599635

IUPAChexane;titanium(3+);trichloride
SMILESCCCCCC.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C6H14.3ClH.Ti/c1-3-5-6-4-2;;;;/h3-6H2,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyGWMNBAZLLBPFFO-UHFFFAOYSA-K
MW240.40 g/mol
LogP-6.40
Rot. Bonds3

About hexane;titanium(3+);trichloride

hexane;titanium(3+);trichloride (PubChem CID 163599635) has the molecular formula C6H14Cl3Ti and a molecular weight of 240.40 g/mol. Its IUPAC name is hexane;titanium(3+);trichloride.

Molecular Properties

Compound Namehexane;titanium(3+);trichloride
PubChem CID163599635
Molecular FormulaC6H14Cl3Ti
Molecular Weight240.40 g/mol
Exact Mass238.96
IUPAC Namehexane;titanium(3+);trichloride
SMILESCCCCCC.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C6H14.3ClH.Ti/c1-3-5-6-4-2;;;;/h3-6H2,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyGWMNBAZLLBPFFO-UHFFFAOYSA-K
XLogP-6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.40
LogP ≤ 5-6.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 159049036

Frequently Asked Questions

What is the IUPAC name of hexane;titanium(3+);trichloride?
The IUPAC name of hexane;titanium(3+);trichloride (CID 163599635) is hexane;titanium(3+);trichloride.
What is the SMILES notation for hexane;titanium(3+);trichloride?
The canonical SMILES for hexane;titanium(3+);trichloride is CCCCCC.[Cl-].[Cl-].[Cl-].[Ti+3].
What is the InChIKey of hexane;titanium(3+);trichloride?
The InChIKey is GWMNBAZLLBPFFO-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H14.3ClH.Ti/c1-3-5-6-4-2;;;;/h3-6H2,1-2H3;3*1H;/q;;;;+3/p-3.
What are the key properties of hexane;titanium(3+);trichloride?
hexane;titanium(3+);trichloride has a molecular weight of 240.40 g/mol, XLogP of -6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;titanium(3+);trichloride is sourced from PubChem (CID 163599635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).