CID 102590129

C5H11IZn- — CID 102590129

IUPAC—
SMILESCC[CH]CC.[I-].[Zn]
InChIInChI=1S/C5H11.HI.Zn/c1-3-5-4-2;;/h5H,3-4H2,1-2H3;1H;/p-1
InChIKeyFFCVGKHVSLKANW-UHFFFAOYSA-M
MW263.44 g/mol
LogP-0.99
Rot. Bonds2

About CID 102590129

CID 102590129 (PubChem CID 102590129) has the molecular formula C5H11IZn- and a molecular weight of 263.44 g/mol.

Molecular Properties

Compound NameCID 102590129
PubChem CID102590129
Molecular FormulaC5H11IZn-
Molecular Weight263.44 g/mol
Exact Mass261.92
IUPAC Name—
SMILESCC[CH]CC.[I-].[Zn]
InChIInChI=1S/C5H11.HI.Zn/c1-3-5-4-2;;/h5H,3-4H2,1-2H3;1H;/p-1
InChIKeyFFCVGKHVSLKANW-UHFFFAOYSA-M
XLogP-0.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.44
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 102590129?
The IUPAC name of CID 102590129 (CID 102590129) is not available.
What is the SMILES notation for CID 102590129?
The canonical SMILES for CID 102590129 is CC[CH]CC.[I-].[Zn].
What is the InChIKey of CID 102590129?
The InChIKey is FFCVGKHVSLKANW-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11.HI.Zn/c1-3-5-4-2;;/h5H,3-4H2,1-2H3;1H;/p-1.
What are the key properties of CID 102590129?
CID 102590129 has a molecular weight of 263.44 g/mol, XLogP of -0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102590129 is sourced from PubChem (CID 102590129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).