magnesium;pent-4-enoxybenzene;bromide

C11H13BrMgO — CID 87173825

IUPACmagnesium;pent-4-enoxybenzene;bromide
SMILESC=CCCCOc1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C11H13O.BrH.Mg/c1-2-3-7-10-12-11-8-5-4-6-9-11;;/h2,4-5,8-9H,1,3,7,10H2;1H;/q-1;;+2/p-1
InChIKeyMAHQQFUEGCDZQI-UHFFFAOYSA-M
MW265.43 g/mol
LogP-0.55
Rot. Bonds5

About magnesium;pent-4-enoxybenzene;bromide

magnesium;pent-4-enoxybenzene;bromide (PubChem CID 87173825) has the molecular formula C11H13BrMgO and a molecular weight of 265.43 g/mol. Its IUPAC name is magnesium;pent-4-enoxybenzene;bromide.

Molecular Properties

Compound Namemagnesium;pent-4-enoxybenzene;bromide
PubChem CID87173825
Molecular FormulaC11H13BrMgO
Molecular Weight265.43 g/mol
Exact Mass264.00
IUPAC Namemagnesium;pent-4-enoxybenzene;bromide
SMILESC=CCCCOc1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C11H13O.BrH.Mg/c1-2-3-7-10-12-11-8-5-4-6-9-11;;/h2,4-5,8-9H,1,3,7,10H2;1H;/q-1;;+2/p-1
InChIKeyMAHQQFUEGCDZQI-UHFFFAOYSA-M
XLogP-0.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-4-enoxybenzene;bromide?
The IUPAC name of magnesium;pent-4-enoxybenzene;bromide (CID 87173825) is magnesium;pent-4-enoxybenzene;bromide.
What is the SMILES notation for magnesium;pent-4-enoxybenzene;bromide?
The canonical SMILES for magnesium;pent-4-enoxybenzene;bromide is C=CCCCOc1c[c-]ccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;pent-4-enoxybenzene;bromide?
The InChIKey is MAHQQFUEGCDZQI-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13O.BrH.Mg/c1-2-3-7-10-12-11-8-5-4-6-9-11;;/h2,4-5,8-9H,1,3,7,10H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;pent-4-enoxybenzene;bromide?
magnesium;pent-4-enoxybenzene;bromide has a molecular weight of 265.43 g/mol, XLogP of -0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;pent-4-enoxybenzene;bromide is sourced from PubChem (CID 87173825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).