CID 11121128

C22H20Ti+2 — CID 11121128

IUPAC—
SMILES[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+4].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/2C6H5.2C5H5.Ti/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;/h2*1-5H;2*1-5H;/q2*-1;;;+4
InChIKeyGFLXOYWDBPQURB-UHFFFAOYSA-N
MW332.27 g/mol
LogP5.01
Rot. Bonds

About CID 11121128

CID 11121128 (PubChem CID 11121128) has the molecular formula C22H20Ti+2 and a molecular weight of 332.27 g/mol.

Molecular Properties

Compound NameCID 11121128
PubChem CID11121128
Molecular FormulaC22H20Ti+2
Molecular Weight332.27 g/mol
Exact Mass332.10
IUPAC Name—
SMILES[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+4].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/2C6H5.2C5H5.Ti/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;/h2*1-5H;2*1-5H;/q2*-1;;;+4
InChIKeyGFLXOYWDBPQURB-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.27
LogP ≤ 55.01
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 CID 11121128?
The IUPAC name of CID 11121128 (CID 11121128) is not available.
What is the SMILES notation for CID 11121128?
The canonical SMILES for CID 11121128 is [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+4].[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of CID 11121128?
The InChIKey is GFLXOYWDBPQURB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.2C5H5.Ti/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;/h2*1-5H;2*1-5H;/q2*-1;;;+4.
What are the key properties of CID 11121128?
CID 11121128 has a molecular weight of 332.27 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11121128 is sourced from PubChem (CID 11121128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).