CID 101351357

C3H5IO2Zn- — CID 101351357

IUPAC—
SMILES[CH2]OC(C)=O.[I-].[Zn]
InChIInChI=1S/C3H5O2.HI.Zn/c1-3(4)5-2;;/h2H2,1H3;1H;/p-1
InChIKeyDEYQYZFGBQYQMB-UHFFFAOYSA-M
MW265.37 g/mol
LogP-2.66
Rot. Bonds

About CID 101351357

CID 101351357 (PubChem CID 101351357) has the molecular formula C3H5IO2Zn- and a molecular weight of 265.37 g/mol.

Molecular Properties

Compound NameCID 101351357
PubChem CID101351357
Molecular FormulaC3H5IO2Zn-
Molecular Weight265.37 g/mol
Exact Mass263.86
IUPAC Name—
SMILES[CH2]OC(C)=O.[I-].[Zn]
InChIInChI=1S/C3H5O2.HI.Zn/c1-3(4)5-2;;/h2H2,1H3;1H;/p-1
InChIKeyDEYQYZFGBQYQMB-UHFFFAOYSA-M
XLogP-2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 5-2.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 101351357?
The IUPAC name of CID 101351357 (CID 101351357) is not available.
What is the SMILES notation for CID 101351357?
The canonical SMILES for CID 101351357 is [CH2]OC(C)=O.[I-].[Zn].
What is the InChIKey of CID 101351357?
The InChIKey is DEYQYZFGBQYQMB-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5O2.HI.Zn/c1-3(4)5-2;;/h2H2,1H3;1H;/p-1.
What are the key properties of CID 101351357?
CID 101351357 has a molecular weight of 265.37 g/mol, XLogP of -2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101351357 is sourced from PubChem (CID 101351357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).