benzene;cyclopenta-1,3-diene;titanium;dihydrochloride

C11H13Cl2Ti- — CID 174656990

IUPACbenzene;cyclopenta-1,3-diene;titanium;dihydrochloride
SMILESCl.Cl.[C-]1=CC=CC1.[Ti].c1ccccc1
InChIInChI=1S/C6H6.C5H5.2ClH.Ti/c1-2-4-6-5-3-1;1-2-4-5-3-1;;;/h1-6H;1-3H,4H2;2*1H;/q;-1;;;
InChIKeyTXSJRBJPJQGDGW-UHFFFAOYSA-N
MW264.00 g/mol
LogP3.83
Rot. Bonds

About benzene;cyclopenta-1,3-diene;titanium;dihydrochloride

benzene;cyclopenta-1,3-diene;titanium;dihydrochloride (PubChem CID 174656990) has the molecular formula C11H13Cl2Ti- and a molecular weight of 264.00 g/mol. Its IUPAC name is benzene;cyclopenta-1,3-diene;titanium;dihydrochloride.

Molecular Properties

Compound Namebenzene;cyclopenta-1,3-diene;titanium;dihydrochloride
PubChem CID174656990
Molecular FormulaC11H13Cl2Ti-
Molecular Weight264.00 g/mol
Exact Mass262.99
IUPAC Namebenzene;cyclopenta-1,3-diene;titanium;dihydrochloride
SMILESCl.Cl.[C-]1=CC=CC1.[Ti].c1ccccc1
InChIInChI=1S/C6H6.C5H5.2ClH.Ti/c1-2-4-6-5-3-1;1-2-4-5-3-1;;;/h1-6H;1-3H,4H2;2*1H;/q;-1;;;
InChIKeyTXSJRBJPJQGDGW-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.00
LogP ≤ 53.83
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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Related Compounds

benzene;cyclopenta-1,3-diene;manganese
CID 67644722
bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride
CID 20516591
bis(cyclopenta-1,3-diene);hafnium;hydrochloride
CID 87593145
bis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride
CID 87245014
cyclopenta-1,3-diene;niobium;tetrahydrochloride
CID 173012463
carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride
CID 174301832
carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride
CID 173293314
cesium cyclopenta-1,3-diene
CID 18362255
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
strontium bis(cyclopenta-1,3-diene)
CID 14513562

Frequently Asked Questions

What is the IUPAC name of benzene;cyclopenta-1,3-diene;titanium;dihydrochloride?
The IUPAC name of benzene;cyclopenta-1,3-diene;titanium;dihydrochloride (CID 174656990) is benzene;cyclopenta-1,3-diene;titanium;dihydrochloride.
What is the SMILES notation for benzene;cyclopenta-1,3-diene;titanium;dihydrochloride?
The canonical SMILES for benzene;cyclopenta-1,3-diene;titanium;dihydrochloride is Cl.Cl.[C-]1=CC=CC1.[Ti].c1ccccc1.
What is the InChIKey of benzene;cyclopenta-1,3-diene;titanium;dihydrochloride?
The InChIKey is TXSJRBJPJQGDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H5.2ClH.Ti/c1-2-4-6-5-3-1;1-2-4-5-3-1;;;/h1-6H;1-3H,4H2;2*1H;/q;-1;;;.
What are the key properties of benzene;cyclopenta-1,3-diene;titanium;dihydrochloride?
benzene;cyclopenta-1,3-diene;titanium;dihydrochloride has a molecular weight of 264.00 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclopenta-1,3-diene;titanium;dihydrochloride is sourced from PubChem (CID 174656990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).