CID 101027909

C4H7BrO2Zn- — CID 101027909

IUPAC—
SMILESCC=C([O])OC.[Br-].[Zn]
InChIInChI=1S/C4H7O2.BrH.Zn/c1-3-4(5)6-2;;/h3H,1-2H3;1H;/p-1
InChIKeyXIBCBGSWSPXOGB-UHFFFAOYSA-M
MW232.39 g/mol
LogP-2.07
Rot. Bonds1

About CID 101027909

CID 101027909 (PubChem CID 101027909) has the molecular formula C4H7BrO2Zn- and a molecular weight of 232.39 g/mol.

Molecular Properties

Compound NameCID 101027909
PubChem CID101027909
Molecular FormulaC4H7BrO2Zn-
Molecular Weight232.39 g/mol
Exact Mass229.89
IUPAC Name—
SMILESCC=C([O])OC.[Br-].[Zn]
InChIInChI=1S/C4H7O2.BrH.Zn/c1-3-4(5)6-2;;/h3H,1-2H3;1H;/p-1
InChIKeyXIBCBGSWSPXOGB-UHFFFAOYSA-M
XLogP-2.07
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 5-2.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 101027909?
The IUPAC name of CID 101027909 (CID 101027909) is not available.
What is the SMILES notation for CID 101027909?
The canonical SMILES for CID 101027909 is CC=C([O])OC.[Br-].[Zn].
What is the InChIKey of CID 101027909?
The InChIKey is XIBCBGSWSPXOGB-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7O2.BrH.Zn/c1-3-4(5)6-2;;/h3H,1-2H3;1H;/p-1.
What are the key properties of CID 101027909?
CID 101027909 has a molecular weight of 232.39 g/mol, XLogP of -2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101027909 is sourced from PubChem (CID 101027909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).