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

C10H16O2Ti-2 — CID 11985180

IUPACdioxidanium;cyclopenta-1,3-diene;cyclopentane;titanium(2+)
SMILES[OH3+].[OH3+].[Ti+2].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.2H2O.Ti/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H2;/q-5;-1;;;+2/p+2
InChIKeyMTVDXJRMPRDOFF-UHFFFAOYSA-P
MW216.10 g/mol
LogP0.96
Rot. Bonds

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

dioxidanium;cyclopenta-1,3-diene;cyclopentane;titanium(2+) (PubChem CID 11985180) has the molecular formula C10H16O2Ti-2 and a molecular weight of 216.10 g/mol. Its IUPAC name is dioxidanium;cyclopenta-1,3-diene;cyclopentane;titanium(2+).

Molecular Properties

Compound Namedioxidanium;cyclopenta-1,3-diene;cyclopentane;titanium(2+)
PubChem CID11985180
Molecular FormulaC10H16O2Ti-2
Molecular Weight216.10 g/mol
Exact Mass216.06
IUPAC Namedioxidanium;cyclopenta-1,3-diene;cyclopentane;titanium(2+)
SMILES[OH3+].[OH3+].[Ti+2].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.2H2O.Ti/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H2;/q-5;-1;;;+2/p+2
InChIKeyMTVDXJRMPRDOFF-UHFFFAOYSA-P
XLogP0.96
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.10
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dioxidanium;cyclopenta-1,3-diene;cyclopentane;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 dioxidanium;cyclopenta-1,3-diene;cyclopentane;titanium(2+)?
The IUPAC name of dioxidanium;cyclopenta-1,3-diene;cyclopentane;titanium(2+) (CID 11985180) is dioxidanium;cyclopenta-1,3-diene;cyclopentane;titanium(2+).
What is the SMILES notation for dioxidanium;cyclopenta-1,3-diene;cyclopentane;titanium(2+)?
The canonical SMILES for dioxidanium;cyclopenta-1,3-diene;cyclopentane;titanium(2+) is [OH3+].[OH3+].[Ti+2].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.
What is the InChIKey of dioxidanium;cyclopenta-1,3-diene;cyclopentane;titanium(2+)?
The InChIKey is MTVDXJRMPRDOFF-UHFFFAOYSA-P. The full InChI is InChI=1S/2C5H5.2H2O.Ti/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H2;/q-5;-1;;;+2/p+2.
What are the key properties of dioxidanium;cyclopenta-1,3-diene;cyclopentane;titanium(2+)?
dioxidanium;cyclopenta-1,3-diene;cyclopentane;titanium(2+) has a molecular weight of 216.10 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dioxidanium;cyclopenta-1,3-diene;cyclopentane;titanium(2+) is sourced from PubChem (CID 11985180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).