CID 101124027

C6H13BrZn- — CID 101124027

IUPAC—
SMILES[Br-].[CH2]CCCCC.[Zn]
InChIInChI=1S/C6H13.BrH.Zn/c1-3-5-6-4-2;;/h1,3-6H2,2H3;1H;/p-1
InChIKeyWNQILNXQFAWGQS-UHFFFAOYSA-M
MW230.46 g/mol
LogP-0.60
Rot. Bonds3

About CID 101124027

CID 101124027 (PubChem CID 101124027) has the molecular formula C6H13BrZn- and a molecular weight of 230.46 g/mol.

Molecular Properties

Compound NameCID 101124027
PubChem CID101124027
Molecular FormulaC6H13BrZn-
Molecular Weight230.46 g/mol
Exact Mass227.95
IUPAC Name—
SMILES[Br-].[CH2]CCCCC.[Zn]
InChIInChI=1S/C6H13.BrH.Zn/c1-3-5-6-4-2;;/h1,3-6H2,2H3;1H;/p-1
InChIKeyWNQILNXQFAWGQS-UHFFFAOYSA-M
XLogP-0.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.46
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101124027?
The IUPAC name of CID 101124027 (CID 101124027) is not available.
What is the SMILES notation for CID 101124027?
The canonical SMILES for CID 101124027 is [Br-].[CH2]CCCCC.[Zn].
What is the InChIKey of CID 101124027?
The InChIKey is WNQILNXQFAWGQS-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13.BrH.Zn/c1-3-5-6-4-2;;/h1,3-6H2,2H3;1H;/p-1.
What are the key properties of CID 101124027?
CID 101124027 has a molecular weight of 230.46 g/mol, XLogP of -0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101124027 is sourced from PubChem (CID 101124027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).