bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride

C10H11ClTi — CID 20516591

IUPACbis(cyclopenta-1,3-diene);titanium(2+);hydrochloride
SMILESCl.[C-]1=CC=CC1.[C-]1=CC=CC1.[Ti+2]
InChIInChI=1S/2C5H5.ClH.Ti/c2*1-2-4-5-3-1;;/h2*1-3H,4H2;1H;/q2*-1;;+2
InChIKeyOETXWSKADKAXNS-UHFFFAOYSA-N
MW214.52 g/mol
LogP3.03
Rot. Bonds

About bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride

bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride (PubChem CID 20516591) has the molecular formula C10H11ClTi and a molecular weight of 214.52 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);titanium(2+);hydrochloride
PubChem CID20516591
Molecular FormulaC10H11ClTi
Molecular Weight214.52 g/mol
Exact Mass214.00
IUPAC Namebis(cyclopenta-1,3-diene);titanium(2+);hydrochloride
SMILESCl.[C-]1=CC=CC1.[C-]1=CC=CC1.[Ti+2]
InChIInChI=1S/2C5H5.ClH.Ti/c2*1-2-4-5-3-1;;/h2*1-3H,4H2;1H;/q2*-1;;+2
InChIKeyOETXWSKADKAXNS-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.52
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride
CID 174301832
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;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
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
strontium bis(cyclopenta-1,3-diene)
CID 14513562
bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dihydrochloride
CID 173300775

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride?
The IUPAC name of bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride (CID 20516591) is bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride.
What is the SMILES notation for bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride?
The canonical SMILES for bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride is Cl.[C-]1=CC=CC1.[C-]1=CC=CC1.[Ti+2].
What is the InChIKey of bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride?
The InChIKey is OETXWSKADKAXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.ClH.Ti/c2*1-2-4-5-3-1;;/h2*1-3H,4H2;1H;/q2*-1;;+2.
What are the key properties of bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride?
bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride has a molecular weight of 214.52 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride is sourced from PubChem (CID 20516591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).