CID 22836829

C16H25SeTi+2 — CID 22836829

IUPAC—
SMILESC1CCCC1.C1CCCC1.[Se]c1ccccc1.[Ti+2]
InChIInChI=1S/C6H5Se.2C5H10.Ti/c7-6-4-2-1-3-5-6;2*1-2-4-5-3-1;/h1-5H;2*1-5H2;/q;;;+2
InChIKeyWULGJVQMHHBZLX-UHFFFAOYSA-N
MW344.20 g/mol
LogP4.38
Rot. Bonds

About CID 22836829

CID 22836829 (PubChem CID 22836829) has the molecular formula C16H25SeTi+2 and a molecular weight of 344.20 g/mol.

Molecular Properties

Compound NameCID 22836829
PubChem CID22836829
Molecular FormulaC16H25SeTi+2
Molecular Weight344.20 g/mol
Exact Mass345.06
IUPAC Name—
SMILESC1CCCC1.C1CCCC1.[Se]c1ccccc1.[Ti+2]
InChIInChI=1S/C6H5Se.2C5H10.Ti/c7-6-4-2-1-3-5-6;2*1-2-4-5-3-1;/h1-5H;2*1-5H2;/q;;;+2
InChIKeyWULGJVQMHHBZLX-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 22836829?
The IUPAC name of CID 22836829 (CID 22836829) is not available.
What is the SMILES notation for CID 22836829?
The canonical SMILES for CID 22836829 is C1CCCC1.C1CCCC1.[Se]c1ccccc1.[Ti+2].
What is the InChIKey of CID 22836829?
The InChIKey is WULGJVQMHHBZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Se.2C5H10.Ti/c7-6-4-2-1-3-5-6;2*1-2-4-5-3-1;/h1-5H;2*1-5H2;/q;;;+2.
What are the key properties of CID 22836829?
CID 22836829 has a molecular weight of 344.20 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22836829 is sourced from PubChem (CID 22836829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).