CID 16706904

C10H15AlSe — CID 16706904

IUPAC—
SMILESCC[Al]CC.[Se]c1ccccc1
InChIInChI=1S/C6H5Se.2C2H5.Al/c7-6-4-2-1-3-5-6;2*1-2;/h1-5H;2*1H2,2H3;
InChIKeyHBHCGJNNMMEIHW-UHFFFAOYSA-N
MW241.17 g/mol
LogP2.05
Rot. Bonds2

About CID 16706904

CID 16706904 (PubChem CID 16706904) has the molecular formula C10H15AlSe and a molecular weight of 241.17 g/mol.

Molecular Properties

Compound NameCID 16706904
PubChem CID16706904
Molecular FormulaC10H15AlSe
Molecular Weight241.17 g/mol
Exact Mass242.02
IUPAC Name—
SMILESCC[Al]CC.[Se]c1ccccc1
InChIInChI=1S/C6H5Se.2C2H5.Al/c7-6-4-2-1-3-5-6;2*1-2;/h1-5H;2*1H2,2H3;
InChIKeyHBHCGJNNMMEIHW-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 52.05
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 16706904?
The IUPAC name of CID 16706904 (CID 16706904) is not available.
What is the SMILES notation for CID 16706904?
The canonical SMILES for CID 16706904 is CC[Al]CC.[Se]c1ccccc1.
What is the InChIKey of CID 16706904?
The InChIKey is HBHCGJNNMMEIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Se.2C2H5.Al/c7-6-4-2-1-3-5-6;2*1-2;/h1-5H;2*1H2,2H3;.
What are the key properties of CID 16706904?
CID 16706904 has a molecular weight of 241.17 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16706904 is sourced from PubChem (CID 16706904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).