tris(cyclopenta-1,3-diene);titanium(4+);tetrachloride

C15H18Cl4Ti — CID 173398941

IUPACtris(cyclopenta-1,3-diene);titanium(4+);tetrachloride
SMILESC1=CCC=C1.C1=CCC=C1.C1=CCC=C1.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/3C5H6.4ClH.Ti/c3*1-2-4-5-3-1;;;;;/h3*1-4H,5H2;4*1H;/q;;;;;;;+4/p-4
InChIKeyACRMQDKCVNWCMX-UHFFFAOYSA-J
MW387.99 g/mol
LogP-7.48
Rot. Bonds

About tris(cyclopenta-1,3-diene);titanium(4+);tetrachloride

tris(cyclopenta-1,3-diene);titanium(4+);tetrachloride (PubChem CID 173398941) has the molecular formula C15H18Cl4Ti and a molecular weight of 387.99 g/mol. Its IUPAC name is tris(cyclopenta-1,3-diene);titanium(4+);tetrachloride.

Molecular Properties

Compound Nametris(cyclopenta-1,3-diene);titanium(4+);tetrachloride
PubChem CID173398941
Molecular FormulaC15H18Cl4Ti
Molecular Weight387.99 g/mol
Exact Mass385.96
IUPAC Nametris(cyclopenta-1,3-diene);titanium(4+);tetrachloride
SMILESC1=CCC=C1.C1=CCC=C1.C1=CCC=C1.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/3C5H6.4ClH.Ti/c3*1-2-4-5-3-1;;;;;/h3*1-4H,5H2;4*1H;/q;;;;;;;+4/p-4
InChIKeyACRMQDKCVNWCMX-UHFFFAOYSA-J
XLogP-7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.99
LogP ≤ 5-7.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tris(cyclopenta-1,3-diene);titanium(4+);tetrachloride?
The IUPAC name of tris(cyclopenta-1,3-diene);titanium(4+);tetrachloride (CID 173398941) is tris(cyclopenta-1,3-diene);titanium(4+);tetrachloride.
What is the SMILES notation for tris(cyclopenta-1,3-diene);titanium(4+);tetrachloride?
The canonical SMILES for tris(cyclopenta-1,3-diene);titanium(4+);tetrachloride is C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of tris(cyclopenta-1,3-diene);titanium(4+);tetrachloride?
The InChIKey is ACRMQDKCVNWCMX-UHFFFAOYSA-J. The full InChI is InChI=1S/3C5H6.4ClH.Ti/c3*1-2-4-5-3-1;;;;;/h3*1-4H,5H2;4*1H;/q;;;;;;;+4/p-4.
What are the key properties of tris(cyclopenta-1,3-diene);titanium(4+);tetrachloride?
tris(cyclopenta-1,3-diene);titanium(4+);tetrachloride has a molecular weight of 387.99 g/mol, XLogP of -7.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(cyclopenta-1,3-diene);titanium(4+);tetrachloride is sourced from PubChem (CID 173398941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).