bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+)

C20H30Ti — CID 22023607

IUPACbis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+)
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.[Ti+2]
InChIInChI=1S/2C10H15.Ti/c2*1-7-6-10(4,5)9(3)8(7)2;/h2*1-5H3;/q2*-1;+2
InChIKeyORVBNYNCRLHZOL-UHFFFAOYSA-N
MW318.33 g/mol
LogP6.22
Rot. Bonds

About bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+)

bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+) (PubChem CID 22023607) has the molecular formula C20H30Ti and a molecular weight of 318.33 g/mol. Its IUPAC name is bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+).

Molecular Properties

Compound Namebis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+)
PubChem CID22023607
Molecular FormulaC20H30Ti
Molecular Weight318.33 g/mol
Exact Mass318.18
IUPAC Namebis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+)
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.[Ti+2]
InChIInChI=1S/2C10H15.Ti/c2*1-7-6-10(4,5)9(3)8(7)2;/h2*1-5H3;/q2*-1;+2
InChIKeyORVBNYNCRLHZOL-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.33
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+)?
The IUPAC name of bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+) (CID 22023607) is bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+).
What is the SMILES notation for bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+)?
The canonical SMILES for bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+) is CC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.[Ti+2].
What is the InChIKey of bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+)?
The InChIKey is ORVBNYNCRLHZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.Ti/c2*1-7-6-10(4,5)9(3)8(7)2;/h2*1-5H3;/q2*-1;+2.
What are the key properties of bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+)?
bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+) has a molecular weight of 318.33 g/mol, XLogP of 6.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+) is sourced from PubChem (CID 22023607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).