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

C14H18Ti — CID 175385628

IUPACbis(2,3-dimethylcyclopenta-1,3-diene);titanium(2+)
SMILESCC1=[C-]CC=C1C.CC1=[C-]CC=C1C.[Ti+2]
InChIInChI=1S/2C7H9.Ti/c2*1-6-4-3-5-7(6)2;/h2*4H,3H2,1-2H3;/q2*-1;+2
InChIKeyHFEDDDIRABWBEY-UHFFFAOYSA-N
MW234.16 g/mol
LogP4.17
Rot. Bonds

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

bis(2,3-dimethylcyclopenta-1,3-diene);titanium(2+) (PubChem CID 175385628) has the molecular formula C14H18Ti and a molecular weight of 234.16 g/mol. Its IUPAC name is bis(2,3-dimethylcyclopenta-1,3-diene);titanium(2+).

Molecular Properties

Compound Namebis(2,3-dimethylcyclopenta-1,3-diene);titanium(2+)
PubChem CID175385628
Molecular FormulaC14H18Ti
Molecular Weight234.16 g/mol
Exact Mass234.09
IUPAC Namebis(2,3-dimethylcyclopenta-1,3-diene);titanium(2+)
SMILESCC1=[C-]CC=C1C.CC1=[C-]CC=C1C.[Ti+2]
InChIInChI=1S/2C7H9.Ti/c2*1-6-4-3-5-7(6)2;/h2*4H,3H2,1-2H3;/q2*-1;+2
InChIKeyHFEDDDIRABWBEY-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 54.17
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

bis(2,3-dimethylcyclopenta-1,3-diene);hydride;titanium(2+)
CID 173149529
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);titanium(2+)?
The IUPAC name of bis(2,3-dimethylcyclopenta-1,3-diene);titanium(2+) (CID 175385628) is bis(2,3-dimethylcyclopenta-1,3-diene);titanium(2+).
What is the SMILES notation for bis(2,3-dimethylcyclopenta-1,3-diene);titanium(2+)?
The canonical SMILES for bis(2,3-dimethylcyclopenta-1,3-diene);titanium(2+) is CC1=[C-]CC=C1C.CC1=[C-]CC=C1C.[Ti+2].
What is the InChIKey of bis(2,3-dimethylcyclopenta-1,3-diene);titanium(2+)?
The InChIKey is HFEDDDIRABWBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9.Ti/c2*1-6-4-3-5-7(6)2;/h2*4H,3H2,1-2H3;/q2*-1;+2.
What are the key properties of bis(2,3-dimethylcyclopenta-1,3-diene);titanium(2+)?
bis(2,3-dimethylcyclopenta-1,3-diene);titanium(2+) has a molecular weight of 234.16 g/mol, XLogP of 4.17, 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);titanium(2+) is sourced from PubChem (CID 175385628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).