3-ethyl-1-methylcyclopenta-1,3-diene;titanium

C8H11Ti- — CID 174601324

IUPAC3-ethyl-1-methylcyclopenta-1,3-diene;titanium
SMILESCCC1=CCC(C)=[C-]1.[Ti]
InChIInChI=1S/C8H11.Ti/c1-3-8-5-4-7(2)6-8;/h5H,3-4H2,1-2H3;/q-1;
InChIKeyMOOUQSSQEJTWLG-UHFFFAOYSA-N
MW155.04 g/mol
LogP2.47
Rot. Bonds1

About 3-ethyl-1-methylcyclopenta-1,3-diene;titanium

3-ethyl-1-methylcyclopenta-1,3-diene;titanium (PubChem CID 174601324) has the molecular formula C8H11Ti- and a molecular weight of 155.04 g/mol. Its IUPAC name is 3-ethyl-1-methylcyclopenta-1,3-diene;titanium.

Molecular Properties

Compound Name3-ethyl-1-methylcyclopenta-1,3-diene;titanium
PubChem CID174601324
Molecular FormulaC8H11Ti-
Molecular Weight155.04 g/mol
Exact Mass155.03
IUPAC Name3-ethyl-1-methylcyclopenta-1,3-diene;titanium
SMILESCCC1=CCC(C)=[C-]1.[Ti]
InChIInChI=1S/C8H11.Ti/c1-3-8-5-4-7(2)6-8;/h5H,3-4H2,1-2H3;/q-1;
InChIKeyMOOUQSSQEJTWLG-UHFFFAOYSA-N
XLogP2.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.04
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-ethyl-1-methylcyclopenta-1,3-diene;titanium 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

3-ethyl-1-methylcyclopenta-1,3-diene;vanadium(4+);trichloride
CID 173258063
bis(3-butyl-1-methylcyclopenta-1,3-diene);vanadium(2+)
CID 173204075
1,3-diethylcyclopenta-1,3-diene;zirconium
CID 174769441
bis(3-butyl-1-methylcyclopenta-1,3-diene);hafnium;methoxymethane
CID 175392923
1,3-dimethylcyclopenta-1,3-diene;vanadium(2+);dichloride
CID 87182182
1,3-dimethylcyclopenta-1,3-diene;vanadium(4+);trichloride
CID 158137341
bis(1-ethyl-3-methylcyclopenta-1,3-diene);zirconium(2+)
CID 173020265
CID 173474516
CID 173474516
1-methyl-1-(4-methylcyclopenta-1,4-dien-1-yl)cyclohexane;zirconium(3+);dichloride
CID 87368864
(3-ethylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane;titanium(4+);trichloride
CID 173384506
bis(1,3-dimethylcyclopenta-1,3-diene);methanidylbenzene;zirconium(4+)
CID 173280665
ethane;3-ethyl-6-methyl-1H-indene;methanol
CID 91275305

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylcyclopenta-1,3-diene;titanium?
The IUPAC name of 3-ethyl-1-methylcyclopenta-1,3-diene;titanium (CID 174601324) is 3-ethyl-1-methylcyclopenta-1,3-diene;titanium.
What is the SMILES notation for 3-ethyl-1-methylcyclopenta-1,3-diene;titanium?
The canonical SMILES for 3-ethyl-1-methylcyclopenta-1,3-diene;titanium is CCC1=CCC(C)=[C-]1.[Ti].
What is the InChIKey of 3-ethyl-1-methylcyclopenta-1,3-diene;titanium?
The InChIKey is MOOUQSSQEJTWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11.Ti/c1-3-8-5-4-7(2)6-8;/h5H,3-4H2,1-2H3;/q-1;.
What are the key properties of 3-ethyl-1-methylcyclopenta-1,3-diene;titanium?
3-ethyl-1-methylcyclopenta-1,3-diene;titanium has a molecular weight of 155.04 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylcyclopenta-1,3-diene;titanium is sourced from PubChem (CID 174601324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).