magnesium;pent-1-ene;bromide

C5H9BrMg — CID 11116540

IUPACmagnesium;pent-1-ene;bromide
SMILESC=CCC[CH2-].[Br-].[Mg+2]
InChIInChI=1S/C5H9.BrH.Mg/c1-3-5-4-2;;/h3H,1-2,4-5H2;1H;/q-1;;+2/p-1
InChIKeyPJMGRBFYUPMCMS-UHFFFAOYSA-M
MW173.34 g/mol
LogP-1.59
Rot. Bonds2

About magnesium;pent-1-ene;bromide

magnesium;pent-1-ene;bromide (PubChem CID 11116540) has the molecular formula C5H9BrMg and a molecular weight of 173.34 g/mol. Its IUPAC name is magnesium;pent-1-ene;bromide.

Molecular Properties

Compound Namemagnesium;pent-1-ene;bromide
PubChem CID11116540
Molecular FormulaC5H9BrMg
Molecular Weight173.34 g/mol
Exact Mass171.97
IUPAC Namemagnesium;pent-1-ene;bromide
SMILESC=CCC[CH2-].[Br-].[Mg+2]
InChIInChI=1S/C5H9.BrH.Mg/c1-3-5-4-2;;/h3H,1-2,4-5H2;1H;/q-1;;+2/p-1
InChIKeyPJMGRBFYUPMCMS-UHFFFAOYSA-M
XLogP-1.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.34
LogP ≤ 5-1.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;pent-1-ene;bromide?
The IUPAC name of magnesium;pent-1-ene;bromide (CID 11116540) is magnesium;pent-1-ene;bromide.
What is the SMILES notation for magnesium;pent-1-ene;bromide?
The canonical SMILES for magnesium;pent-1-ene;bromide is C=CCC[CH2-].[Br-].[Mg+2].
What is the InChIKey of magnesium;pent-1-ene;bromide?
The InChIKey is PJMGRBFYUPMCMS-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9.BrH.Mg/c1-3-5-4-2;;/h3H,1-2,4-5H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;pent-1-ene;bromide?
magnesium;pent-1-ene;bromide has a molecular weight of 173.34 g/mol, XLogP of -1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;pent-1-ene;bromide is sourced from PubChem (CID 11116540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).