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

C14H18Ti — CID 172701358

IUPACbis(1-ethylcyclopenta-1,3-diene);titanium(2+)
SMILESCCc1ccc[cH-]1.CCc1ccc[cH-]1.[Ti+2]
InChIInChI=1S/2C7H9.Ti/c2*1-2-7-5-3-4-6-7;/h2*3-6H,2H2,1H3;/q2*-1;+2
InChIKeyCZWPMPSHTNCSGG-UHFFFAOYSA-N
MW234.17 g/mol
LogP3.93
Rot. Bonds2

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

bis(1-ethylcyclopenta-1,3-diene);titanium(2+) (PubChem CID 172701358) has the molecular formula C14H18Ti and a molecular weight of 234.17 g/mol. Its IUPAC name is bis(1-ethylcyclopenta-1,3-diene);titanium(2+).

Molecular Properties

Compound Namebis(1-ethylcyclopenta-1,3-diene);titanium(2+)
PubChem CID172701358
Molecular FormulaC14H18Ti
Molecular Weight234.17 g/mol
Exact Mass234.09
IUPAC Namebis(1-ethylcyclopenta-1,3-diene);titanium(2+)
SMILESCCc1ccc[cH-]1.CCc1ccc[cH-]1.[Ti+2]
InChIInChI=1S/2C7H9.Ti/c2*1-2-7-5-3-4-6-7;/h2*3-6H,2H2,1H3;/q2*-1;+2
InChIKeyCZWPMPSHTNCSGG-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 53.93
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

1-ethylcyclopenta-1,3-diene;1-methoxycyclopenta-1,3-diene;ruthenium(2+)
CID 162263063
bis(1-butylcyclopenta-1,3-diene);titanium(2+)
CID 159034563
carbanide;bis(cyclopenta-1,3-diene);1-ethylcyclopenta-1,3-diene;bis(iron(4+));methane;1-methylcyclopenta-1,3-diene
CID 158519657
1-butylcyclopenta-1,3-diene;hafnium;dichloride
CID 158111562
bis(cyclopenta-1,3-dien-1-ylmethyl(trimethyl)silane);hafnium
CID 175893047
1-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
CID 15818168
1-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;zirconium(2+)
CID 160781106
2-cyclopenta-1,3-dien-1-ylethanol;methanol;oxoniobium
CID 155656379
1-butylcyclopenta-1,3-diene;2,3-dimethylbuta-1,3-diene;hafnium
CID 159836461
bis(cyclopenta-1,3-dien-1-ylmethylbenzene);iron(2+)
CID 517163
bis(1-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene);titanium(2+)
CID 175026738
cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+)
CID 157273131

Frequently Asked Questions

What is the IUPAC name of bis(1-ethylcyclopenta-1,3-diene);titanium(2+)?
The IUPAC name of bis(1-ethylcyclopenta-1,3-diene);titanium(2+) (CID 172701358) is bis(1-ethylcyclopenta-1,3-diene);titanium(2+).
What is the SMILES notation for bis(1-ethylcyclopenta-1,3-diene);titanium(2+)?
The canonical SMILES for bis(1-ethylcyclopenta-1,3-diene);titanium(2+) is CCc1ccc[cH-]1.CCc1ccc[cH-]1.[Ti+2].
What is the InChIKey of bis(1-ethylcyclopenta-1,3-diene);titanium(2+)?
The InChIKey is CZWPMPSHTNCSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9.Ti/c2*1-2-7-5-3-4-6-7;/h2*3-6H,2H2,1H3;/q2*-1;+2.
What are the key properties of bis(1-ethylcyclopenta-1,3-diene);titanium(2+)?
bis(1-ethylcyclopenta-1,3-diene);titanium(2+) has a molecular weight of 234.17 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethylcyclopenta-1,3-diene);titanium(2+) is sourced from PubChem (CID 172701358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).