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

C11H14Ti — CID 173337087

IUPACcyclopenta-1,3-diene;2-methylpenta-1,3-diene;titanium(2+)
SMILES[C-]1=CC=CC1.[H]/[C-]=C(/C)C=CC.[Ti+2]
InChIInChI=1S/C6H9.C5H5.Ti/c1-4-5-6(2)3;1-2-4-5-3-1;/h2,4-5H,1,3H3;1-3H,4H2;/q2*-1;+2
InChIKeyGOOBQOTVCYEMGG-UHFFFAOYSA-N
MW194.10 g/mol
LogP3.24
Rot. Bonds1

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

cyclopenta-1,3-diene;2-methylpenta-1,3-diene;titanium(2+) (PubChem CID 173337087) has the molecular formula C11H14Ti and a molecular weight of 194.10 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-methylpenta-1,3-diene;titanium(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-methylpenta-1,3-diene;titanium(2+)
PubChem CID173337087
Molecular FormulaC11H14Ti
Molecular Weight194.10 g/mol
Exact Mass194.06
IUPAC Namecyclopenta-1,3-diene;2-methylpenta-1,3-diene;titanium(2+)
SMILES[C-]1=CC=CC1.[H]/[C-]=C(/C)C=CC.[Ti+2]
InChIInChI=1S/C6H9.C5H5.Ti/c1-4-5-6(2)3;1-2-4-5-3-1;/h2,4-5H,1,3H3;1-3H,4H2;/q2*-1;+2
InChIKeyGOOBQOTVCYEMGG-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.10
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclohepta-1,3,5-triene;penta-1,3-diene;titanium(2+)
CID 150696595
bis(cyclopenta-1,3-diene);iron(2+);methanol
CID 175123773
bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride
CID 20516591
bis(cyclopenta-1,3-diene);propan-2-ylidenehafnium(2+);dihydrochloride
CID 87162561
cyclopenta-1,3-diene;tris(dimethylazanide);hafnium(4+)
CID 87349857
carbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+)
CID 19077938
carbanide;cyclopenta-1,3-diene;hydroxy(dimethyl)silane;titanium(2+);dichloride
CID 173178002
bis(cyclopenta-1,3-diene);2,3-dimethylbuta-1,3-diene;zirconium(2+)
CID 22261293
carbanide;cyclopenta-1,3-diene;propan-2-ol;zirconium(3+)
CID 22676437
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
cyclopenta-1,3-diene;dimethylazanide;zirconium(4+);dichloride
CID 23363187

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2-methylpenta-1,3-diene;titanium(2+)?
The IUPAC name of cyclopenta-1,3-diene;2-methylpenta-1,3-diene;titanium(2+) (CID 173337087) is cyclopenta-1,3-diene;2-methylpenta-1,3-diene;titanium(2+).
What is the SMILES notation for cyclopenta-1,3-diene;2-methylpenta-1,3-diene;titanium(2+)?
The canonical SMILES for cyclopenta-1,3-diene;2-methylpenta-1,3-diene;titanium(2+) is [C-]1=CC=CC1.[H]/[C-]=C(/C)C=CC.[Ti+2].
What is the InChIKey of cyclopenta-1,3-diene;2-methylpenta-1,3-diene;titanium(2+)?
The InChIKey is GOOBQOTVCYEMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9.C5H5.Ti/c1-4-5-6(2)3;1-2-4-5-3-1;/h2,4-5H,1,3H3;1-3H,4H2;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;2-methylpenta-1,3-diene;titanium(2+)?
cyclopenta-1,3-diene;2-methylpenta-1,3-diene;titanium(2+) has a molecular weight of 194.10 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2-methylpenta-1,3-diene;titanium(2+) is sourced from PubChem (CID 173337087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).