CID 87886476

C4H8Cl2Mg — CID 87886476

IUPAC—
SMILESClCCCCCl.[Mg]
InChIInChI=1S/C4H8Cl2.Mg/c5-3-1-2-4-6;/h1-4H2;
InChIKeyACEYJJCCNYSNKM-UHFFFAOYSA-N
MW151.32 g/mol
LogP1.86
Rot. Bonds3

About CID 87886476

CID 87886476 (PubChem CID 87886476) has the molecular formula C4H8Cl2Mg and a molecular weight of 151.32 g/mol.

Molecular Properties

Compound NameCID 87886476
PubChem CID87886476
Molecular FormulaC4H8Cl2Mg
Molecular Weight151.32 g/mol
Exact Mass149.99
IUPAC Name—
SMILESClCCCCCl.[Mg]
InChIInChI=1S/C4H8Cl2.Mg/c5-3-1-2-4-6;/h1-4H2;
InChIKeyACEYJJCCNYSNKM-UHFFFAOYSA-N
XLogP1.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.32
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87886476?
The IUPAC name of CID 87886476 (CID 87886476) is not available.
What is the SMILES notation for CID 87886476?
The canonical SMILES for CID 87886476 is ClCCCCCl.[Mg].
What is the InChIKey of CID 87886476?
The InChIKey is ACEYJJCCNYSNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2.Mg/c5-3-1-2-4-6;/h1-4H2;.
What are the key properties of CID 87886476?
CID 87886476 has a molecular weight of 151.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87886476 is sourced from PubChem (CID 87886476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).