CID 87119075

C5H11ClMg — CID 87119075

IUPAC—
SMILESCC(C)(C)CCl.[Mg]
InChIInChI=1S/C5H11Cl.Mg/c1-5(2,3)4-6;/h4H2,1-3H3;
InChIKeyXIHPWIQQPKOYKQ-UHFFFAOYSA-N
MW130.90 g/mol
LogP1.89
Rot. Bonds

About CID 87119075

CID 87119075 (PubChem CID 87119075) has the molecular formula C5H11ClMg and a molecular weight of 130.90 g/mol.

Molecular Properties

Compound NameCID 87119075
PubChem CID87119075
Molecular FormulaC5H11ClMg
Molecular Weight130.90 g/mol
Exact Mass130.04
IUPAC Name—
SMILESCC(C)(C)CCl.[Mg]
InChIInChI=1S/C5H11Cl.Mg/c1-5(2,3)4-6;/h4H2,1-3H3;
InChIKeyXIHPWIQQPKOYKQ-UHFFFAOYSA-N
XLogP1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.90
LogP ≤ 51.89
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 87119075?
The IUPAC name of CID 87119075 (CID 87119075) is not available.
What is the SMILES notation for CID 87119075?
The canonical SMILES for CID 87119075 is CC(C)(C)CCl.[Mg].
What is the InChIKey of CID 87119075?
The InChIKey is XIHPWIQQPKOYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl.Mg/c1-5(2,3)4-6;/h4H2,1-3H3;.
What are the key properties of CID 87119075?
CID 87119075 has a molecular weight of 130.90 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87119075 is sourced from PubChem (CID 87119075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).