magnesium;1-butoxy-2-methylbenzene-6-ide;bromide

C11H15BrMgO — CID 133143466

IUPACmagnesium;1-butoxy-2-methylbenzene-6-ide;bromide
SMILESCCCCOc1[c-]cccc1C.[Br-].[Mg+2]
InChIInChI=1S/C11H15O.BrH.Mg/c1-3-4-9-12-11-8-6-5-7-10(11)2;;/h5-7H,3-4,9H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyKLUYUEWBWSBIQE-UHFFFAOYSA-M
MW267.45 g/mol
LogP-0.40
Rot. Bonds4

About magnesium;1-butoxy-2-methylbenzene-6-ide;bromide

magnesium;1-butoxy-2-methylbenzene-6-ide;bromide (PubChem CID 133143466) has the molecular formula C11H15BrMgO and a molecular weight of 267.45 g/mol. Its IUPAC name is magnesium;1-butoxy-2-methylbenzene-6-ide;bromide.

Molecular Properties

Compound Namemagnesium;1-butoxy-2-methylbenzene-6-ide;bromide
PubChem CID133143466
Molecular FormulaC11H15BrMgO
Molecular Weight267.45 g/mol
Exact Mass266.02
IUPAC Namemagnesium;1-butoxy-2-methylbenzene-6-ide;bromide
SMILESCCCCOc1[c-]cccc1C.[Br-].[Mg+2]
InChIInChI=1S/C11H15O.BrH.Mg/c1-3-4-9-12-11-8-6-5-7-10(11)2;;/h5-7H,3-4,9H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyKLUYUEWBWSBIQE-UHFFFAOYSA-M
XLogP-0.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.45
LogP ≤ 5-0.40
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'}

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Related Compounds

magnesium;1-fluoro-2-pentoxybenzene-3-ide;bromide
CID 133143473
2-decoxy-1,3-dimethylbenzene
CID 83057478
1,3-dibutoxy-2-methylbenzene
CID 14475066
hexane;1,2,3-trimethylbenzene
CID 159405289
CID 68585284
CID 68585284
1,3-dimethyl-2-propoxybenzene
CID 579040
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
2-fluoro-1-hexoxy-3-methylbenzene
CID 107662011
magnesium;1,2-dimethylbenzene-6-ide;chloride
CID 78061659
ethane;1-methyl-2-pentoxybenzene
CID 143283195
1-methyl-2-pentadecoxybenzene
CID 154641785
2-butoxybenzene-1,3-diol
CID 101011168

Frequently Asked Questions

What is the IUPAC name of magnesium;1-butoxy-2-methylbenzene-6-ide;bromide?
The IUPAC name of magnesium;1-butoxy-2-methylbenzene-6-ide;bromide (CID 133143466) is magnesium;1-butoxy-2-methylbenzene-6-ide;bromide.
What is the SMILES notation for magnesium;1-butoxy-2-methylbenzene-6-ide;bromide?
The canonical SMILES for magnesium;1-butoxy-2-methylbenzene-6-ide;bromide is CCCCOc1[c-]cccc1C.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-butoxy-2-methylbenzene-6-ide;bromide?
The InChIKey is KLUYUEWBWSBIQE-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15O.BrH.Mg/c1-3-4-9-12-11-8-6-5-7-10(11)2;;/h5-7H,3-4,9H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-butoxy-2-methylbenzene-6-ide;bromide?
magnesium;1-butoxy-2-methylbenzene-6-ide;bromide has a molecular weight of 267.45 g/mol, XLogP of -0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-butoxy-2-methylbenzene-6-ide;bromide is sourced from PubChem (CID 133143466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).