titanium(4+);1,2,3-triethyl-4,5,6,7-tetrahydroinden-1-ide;trichloride

C15H23Cl3Ti — CID 173208304

IUPACtitanium(4+);1,2,3-triethyl-4,5,6,7-tetrahydroinden-1-ide;trichloride
SMILESCCc1c2c([c-](CC)c1CC)CCCC2.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C15H23.3ClH.Ti/c1-4-11-12(5-2)14-9-7-8-10-15(14)13(11)6-3;;;;/h4-10H2,1-3H3;3*1H;/q-1;;;;+4/p-3
InChIKeyYVLXGEYONUPNFB-UHFFFAOYSA-K
MW357.58 g/mol
LogP-5.02
Rot. Bonds3

About titanium(4+);1,2,3-triethyl-4,5,6,7-tetrahydroinden-1-ide;trichloride

titanium(4+);1,2,3-triethyl-4,5,6,7-tetrahydroinden-1-ide;trichloride (PubChem CID 173208304) has the molecular formula C15H23Cl3Ti and a molecular weight of 357.58 g/mol. Its IUPAC name is titanium(4+);1,2,3-triethyl-4,5,6,7-tetrahydroinden-1-ide;trichloride.

Molecular Properties

Compound Nametitanium(4+);1,2,3-triethyl-4,5,6,7-tetrahydroinden-1-ide;trichloride
PubChem CID173208304
Molecular FormulaC15H23Cl3Ti
Molecular Weight357.58 g/mol
Exact Mass356.03
IUPAC Nametitanium(4+);1,2,3-triethyl-4,5,6,7-tetrahydroinden-1-ide;trichloride
SMILESCCc1c2c([c-](CC)c1CC)CCCC2.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C15H23.3ClH.Ti/c1-4-11-12(5-2)14-9-7-8-10-15(14)13(11)6-3;;;;/h4-10H2,1-3H3;3*1H;/q-1;;;;+4/p-3
InChIKeyYVLXGEYONUPNFB-UHFFFAOYSA-K
XLogP-5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.58
LogP ≤ 5-5.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of titanium(4+);1,2,3-triethyl-4,5,6,7-tetrahydroinden-1-ide;trichloride?
The IUPAC name of titanium(4+);1,2,3-triethyl-4,5,6,7-tetrahydroinden-1-ide;trichloride (CID 173208304) is titanium(4+);1,2,3-triethyl-4,5,6,7-tetrahydroinden-1-ide;trichloride.
What is the SMILES notation for titanium(4+);1,2,3-triethyl-4,5,6,7-tetrahydroinden-1-ide;trichloride?
The canonical SMILES for titanium(4+);1,2,3-triethyl-4,5,6,7-tetrahydroinden-1-ide;trichloride is CCc1c2c([c-](CC)c1CC)CCCC2.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of titanium(4+);1,2,3-triethyl-4,5,6,7-tetrahydroinden-1-ide;trichloride?
The InChIKey is YVLXGEYONUPNFB-UHFFFAOYSA-K. The full InChI is InChI=1S/C15H23.3ClH.Ti/c1-4-11-12(5-2)14-9-7-8-10-15(14)13(11)6-3;;;;/h4-10H2,1-3H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of titanium(4+);1,2,3-triethyl-4,5,6,7-tetrahydroinden-1-ide;trichloride?
titanium(4+);1,2,3-triethyl-4,5,6,7-tetrahydroinden-1-ide;trichloride has a molecular weight of 357.58 g/mol, XLogP of -5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for titanium(4+);1,2,3-triethyl-4,5,6,7-tetrahydroinden-1-ide;trichloride is sourced from PubChem (CID 173208304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).