cyclopenta-1,3-diene;ethane;titanium(3+)

C9H15Ti — CID 154448215

IUPACcyclopenta-1,3-diene;ethane;titanium(3+)
SMILES[CH2-]C.[CH2-]C.[Ti+3].c1cc[cH-]c1
InChIInChI=1S/C5H5.2C2H5.Ti/c1-2-4-5-3-1;2*1-2;/h1-5H;2*1H2,2H3;/q3*-1;+3
InChIKeyWEXVUBODCGCNQH-UHFFFAOYSA-N
MW171.09 g/mol
LogP3.08
Rot. Bonds

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

cyclopenta-1,3-diene;ethane;titanium(3+) (PubChem CID 154448215) has the molecular formula C9H15Ti and a molecular weight of 171.09 g/mol. Its IUPAC name is cyclopenta-1,3-diene;ethane;titanium(3+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;ethane;titanium(3+)
PubChem CID154448215
Molecular FormulaC9H15Ti
Molecular Weight171.09 g/mol
Exact Mass171.07
IUPAC Namecyclopenta-1,3-diene;ethane;titanium(3+)
SMILES[CH2-]C.[CH2-]C.[Ti+3].c1cc[cH-]c1
InChIInChI=1S/C5H5.2C2H5.Ti/c1-2-4-5-3-1;2*1-2;/h1-5H;2*1H2,2H3;/q3*-1;+3
InChIKeyWEXVUBODCGCNQH-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.09
LogP ≤ 53.08
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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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;ethane;titanium(3+)?
The IUPAC name of cyclopenta-1,3-diene;ethane;titanium(3+) (CID 154448215) is cyclopenta-1,3-diene;ethane;titanium(3+).
What is the SMILES notation for cyclopenta-1,3-diene;ethane;titanium(3+)?
The canonical SMILES for cyclopenta-1,3-diene;ethane;titanium(3+) is [CH2-]C.[CH2-]C.[Ti+3].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;ethane;titanium(3+)?
The InChIKey is WEXVUBODCGCNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.2C2H5.Ti/c1-2-4-5-3-1;2*1-2;/h1-5H;2*1H2,2H3;/q3*-1;+3.
What are the key properties of cyclopenta-1,3-diene;ethane;titanium(3+)?
cyclopenta-1,3-diene;ethane;titanium(3+) has a molecular weight of 171.09 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;ethane;titanium(3+) is sourced from PubChem (CID 154448215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).