magnesium;hex-5-enoxybenzene;bromide

C12H15BrMgO — CID 91655831

IUPACmagnesium;hex-5-enoxybenzene;bromide
SMILESC=CCCCCOc1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C12H15O.BrH.Mg/c1-2-3-4-8-11-13-12-9-6-5-7-10-12;;/h2,5-6,9-10H,1,3-4,8,11H2;1H;/q-1;;+2/p-1
InChIKeyAAABMDINJAWKKK-UHFFFAOYSA-M
MW279.46 g/mol
LogP-0.15
Rot. Bonds6

About magnesium;hex-5-enoxybenzene;bromide

magnesium;hex-5-enoxybenzene;bromide (PubChem CID 91655831) has the molecular formula C12H15BrMgO and a molecular weight of 279.46 g/mol. Its IUPAC name is magnesium;hex-5-enoxybenzene;bromide.

Molecular Properties

Compound Namemagnesium;hex-5-enoxybenzene;bromide
PubChem CID91655831
Molecular FormulaC12H15BrMgO
Molecular Weight279.46 g/mol
Exact Mass278.02
IUPAC Namemagnesium;hex-5-enoxybenzene;bromide
SMILESC=CCCCCOc1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C12H15O.BrH.Mg/c1-2-3-4-8-11-13-12-9-6-5-7-10-12;;/h2,5-6,9-10H,1,3-4,8,11H2;1H;/q-1;;+2/p-1
InChIKeyAAABMDINJAWKKK-UHFFFAOYSA-M
XLogP-0.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.46
LogP ≤ 5-0.15
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;hex-5-enoxybenzene;bromide?
The IUPAC name of magnesium;hex-5-enoxybenzene;bromide (CID 91655831) is magnesium;hex-5-enoxybenzene;bromide.
What is the SMILES notation for magnesium;hex-5-enoxybenzene;bromide?
The canonical SMILES for magnesium;hex-5-enoxybenzene;bromide is C=CCCCCOc1c[c-]ccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;hex-5-enoxybenzene;bromide?
The InChIKey is AAABMDINJAWKKK-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H15O.BrH.Mg/c1-2-3-4-8-11-13-12-9-6-5-7-10-12;;/h2,5-6,9-10H,1,3-4,8,11H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;hex-5-enoxybenzene;bromide?
magnesium;hex-5-enoxybenzene;bromide has a molecular weight of 279.46 g/mol, XLogP of -0.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hex-5-enoxybenzene;bromide is sourced from PubChem (CID 91655831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).