CID 87068053

C4H9ClMg — CID 87068053

IUPAC—
SMILESCCCCCl.[Mg]
InChIInChI=1S/C4H9Cl.Mg/c1-2-3-4-5;/h2-4H2,1H3;
InChIKeyHEUNOCMGZULNRR-UHFFFAOYSA-N
MW116.87 g/mol
LogP1.64
Rot. Bonds2

About CID 87068053

CID 87068053 (PubChem CID 87068053) has the molecular formula C4H9ClMg and a molecular weight of 116.87 g/mol.

Molecular Properties

Compound NameCID 87068053
PubChem CID87068053
Molecular FormulaC4H9ClMg
Molecular Weight116.87 g/mol
Exact Mass116.02
IUPAC Name—
SMILESCCCCCl.[Mg]
InChIInChI=1S/C4H9Cl.Mg/c1-2-3-4-5;/h2-4H2,1H3;
InChIKeyHEUNOCMGZULNRR-UHFFFAOYSA-N
XLogP1.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.87
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87068053?
The IUPAC name of CID 87068053 (CID 87068053) is not available.
What is the SMILES notation for CID 87068053?
The canonical SMILES for CID 87068053 is CCCCCl.[Mg].
What is the InChIKey of CID 87068053?
The InChIKey is HEUNOCMGZULNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl.Mg/c1-2-3-4-5;/h2-4H2,1H3;.
What are the key properties of CID 87068053?
CID 87068053 has a molecular weight of 116.87 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87068053 is sourced from PubChem (CID 87068053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).