bis(2,3-dimethylcyclopenta-1,3-diene);hydride;titanium(2+)

C14H20Ti-2 — CID 173149529

IUPACbis(2,3-dimethylcyclopenta-1,3-diene);hydride;titanium(2+)
SMILESCC1=[C-]CC=C1C.CC1=[C-]CC=C1C.[H-].[H-].[Ti+2]
InChIInChI=1S/2C7H9.Ti.2H/c2*1-6-4-3-5-7(6)2;;;/h2*4H,3H2,1-2H3;;;/q2*-1;+2;2*-1
InChIKeyWODZHOMZIPYFHK-UHFFFAOYSA-N
MW236.18 g/mol
LogP4.39
Rot. Bonds

About bis(2,3-dimethylcyclopenta-1,3-diene);hydride;titanium(2+)

bis(2,3-dimethylcyclopenta-1,3-diene);hydride;titanium(2+) (PubChem CID 173149529) has the molecular formula C14H20Ti-2 and a molecular weight of 236.18 g/mol. Its IUPAC name is bis(2,3-dimethylcyclopenta-1,3-diene);hydride;titanium(2+).

Molecular Properties

Compound Namebis(2,3-dimethylcyclopenta-1,3-diene);hydride;titanium(2+)
PubChem CID173149529
Molecular FormulaC14H20Ti-2
Molecular Weight236.18 g/mol
Exact Mass236.11
IUPAC Namebis(2,3-dimethylcyclopenta-1,3-diene);hydride;titanium(2+)
SMILESCC1=[C-]CC=C1C.CC1=[C-]CC=C1C.[H-].[H-].[Ti+2]
InChIInChI=1S/2C7H9.Ti.2H/c2*1-6-4-3-5-7(6)2;;;/h2*4H,3H2,1-2H3;;;/q2*-1;+2;2*-1
InChIKeyWODZHOMZIPYFHK-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(2,3-dimethylcyclopenta-1,3-diene);hydride;titanium(2+) 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

bis(2,3-dimethylcyclopenta-1,3-diene);titanium(2+)
CID 175385628
carbanide;2,3-dimethylcyclopenta-1,3-diene;zirconium(4+)
CID 22676373
carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silane;zirconium(2+);dichloride
CID 173161612
carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silylidenetitanium;dihydrobromide
CID 173280774
tetrakis(2,3-dimethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride
CID 173280689
bis(2,3-dimethylcyclopenta-1,3-diene);ethane;silylidenezirconium;dihydrochloride
CID 173008605
bis(2,3-dimethylcyclopenta-1,3-diene);ethanol;zirconium(4+);dichloride
CID 175144205
magnesium;cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,3-diene
CID 174383038
carbanide;cyclohexane;bis(2,3-dimethylcyclopenta-1,3-diene);zirconium(2+);dichloride
CID 87108285
bis(2,3-dimethylcyclopenta-1,3-diene);methanidylbenzene;zirconium(4+);chloride
CID 87759015
2,3-dimethylcyclopenta-1,3-diene;methylidenezirconium(2+);2,3,5-trimethylcyclopenta-1,3-diene;dichloride
CID 22990400
CID 173338511
CID 173338511

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylcyclopenta-1,3-diene);hydride;titanium(2+)?
The IUPAC name of bis(2,3-dimethylcyclopenta-1,3-diene);hydride;titanium(2+) (CID 173149529) is bis(2,3-dimethylcyclopenta-1,3-diene);hydride;titanium(2+).
What is the SMILES notation for bis(2,3-dimethylcyclopenta-1,3-diene);hydride;titanium(2+)?
The canonical SMILES for bis(2,3-dimethylcyclopenta-1,3-diene);hydride;titanium(2+) is CC1=[C-]CC=C1C.CC1=[C-]CC=C1C.[H-].[H-].[Ti+2].
What is the InChIKey of bis(2,3-dimethylcyclopenta-1,3-diene);hydride;titanium(2+)?
The InChIKey is WODZHOMZIPYFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9.Ti.2H/c2*1-6-4-3-5-7(6)2;;;/h2*4H,3H2,1-2H3;;;/q2*-1;+2;2*-1.
What are the key properties of bis(2,3-dimethylcyclopenta-1,3-diene);hydride;titanium(2+)?
bis(2,3-dimethylcyclopenta-1,3-diene);hydride;titanium(2+) has a molecular weight of 236.18 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylcyclopenta-1,3-diene);hydride;titanium(2+) is sourced from PubChem (CID 173149529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).