magnesium;1-hex-5-enoxy-3-methylbenzene-4-ide;bromide

C13H17BrMgO — CID 91655649

IUPACmagnesium;1-hex-5-enoxy-3-methylbenzene-4-ide;bromide
SMILESC=CCCCCOc1cc[c-]c(C)c1.[Br-].[Mg+2]
InChIInChI=1S/C13H17O.BrH.Mg/c1-3-4-5-6-10-14-13-9-7-8-12(2)11-13;;/h3,7,9,11H,1,4-6,10H2,2H3;1H;/q-1;;+2/p-1
InChIKeyONXGSDVRGIBWAX-UHFFFAOYSA-M
MW293.49 g/mol
LogP0.15
Rot. Bonds6

About magnesium;1-hex-5-enoxy-3-methylbenzene-4-ide;bromide

magnesium;1-hex-5-enoxy-3-methylbenzene-4-ide;bromide (PubChem CID 91655649) has the molecular formula C13H17BrMgO and a molecular weight of 293.49 g/mol. Its IUPAC name is magnesium;1-hex-5-enoxy-3-methylbenzene-4-ide;bromide.

Molecular Properties

Compound Namemagnesium;1-hex-5-enoxy-3-methylbenzene-4-ide;bromide
PubChem CID91655649
Molecular FormulaC13H17BrMgO
Molecular Weight293.49 g/mol
Exact Mass292.03
IUPAC Namemagnesium;1-hex-5-enoxy-3-methylbenzene-4-ide;bromide
SMILESC=CCCCCOc1cc[c-]c(C)c1.[Br-].[Mg+2]
InChIInChI=1S/C13H17O.BrH.Mg/c1-3-4-5-6-10-14-13-9-7-8-12(2)11-13;;/h3,7,9,11H,1,4-6,10H2,2H3;1H;/q-1;;+2/p-1
InChIKeyONXGSDVRGIBWAX-UHFFFAOYSA-M
XLogP0.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.49
LogP ≤ 50.15
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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Related Compounds

bromozinc(1+);1-methyl-3-propoxybenzene-6-ide
CID 133144688
magnesium;hex-5-enoxybenzene;bromide
CID 91655831
1-methyl-4-tridec-12-enoxybenzene
CID 139447523
1-bromo-3-hex-5-enoxybenzene
CID 146004224
dimagnesium;1-octoxy-3-(3-octoxybenzene-6-id-1-yl)benzene-4-ide;dibromide
CID 59738946
1-pent-4-enoxy-4-propan-2-ylbenzene
CID 64764392
1-ethenyl-4-hex-5-enoxybenzene
CID 86167911
1-methoxy-3-pent-4-enoxybenzene
CID 10750277
1-ethyl-4-oct-7-enoxybenzene
CID 158431404
1-fluoro-3-pent-4-enoxybenzene
CID 64764365
1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene
CID 132933254
bromozinc(1+);but-3-enoxybenzene
CID 133144852

Frequently Asked Questions

What is the IUPAC name of magnesium;1-hex-5-enoxy-3-methylbenzene-4-ide;bromide?
The IUPAC name of magnesium;1-hex-5-enoxy-3-methylbenzene-4-ide;bromide (CID 91655649) is magnesium;1-hex-5-enoxy-3-methylbenzene-4-ide;bromide.
What is the SMILES notation for magnesium;1-hex-5-enoxy-3-methylbenzene-4-ide;bromide?
The canonical SMILES for magnesium;1-hex-5-enoxy-3-methylbenzene-4-ide;bromide is C=CCCCCOc1cc[c-]c(C)c1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-hex-5-enoxy-3-methylbenzene-4-ide;bromide?
The InChIKey is ONXGSDVRGIBWAX-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H17O.BrH.Mg/c1-3-4-5-6-10-14-13-9-7-8-12(2)11-13;;/h3,7,9,11H,1,4-6,10H2,2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-hex-5-enoxy-3-methylbenzene-4-ide;bromide?
magnesium;1-hex-5-enoxy-3-methylbenzene-4-ide;bromide has a molecular weight of 293.49 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;1-hex-5-enoxy-3-methylbenzene-4-ide;bromide is sourced from PubChem (CID 91655649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).