magnesium;1-cyclohexyloxy-3,5-dimethylbenzene-4-ide;bromide

C14H19BrMgO — CID 91656214

IUPACmagnesium;1-cyclohexyloxy-3,5-dimethylbenzene-4-ide;bromide
SMILESCc1[c-]c(C)cc(OC2CCCCC2)c1.[Br-].[Mg+2]
InChIInChI=1S/C14H19O.BrH.Mg/c1-11-8-12(2)10-14(9-11)15-13-6-4-3-5-7-13;;/h9-10,13H,3-7H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyOECFDABLYOUHDD-UHFFFAOYSA-M
MW307.51 g/mol
LogP0.44
Rot. Bonds2

About magnesium;1-cyclohexyloxy-3,5-dimethylbenzene-4-ide;bromide

magnesium;1-cyclohexyloxy-3,5-dimethylbenzene-4-ide;bromide (PubChem CID 91656214) has the molecular formula C14H19BrMgO and a molecular weight of 307.51 g/mol. Its IUPAC name is magnesium;1-cyclohexyloxy-3,5-dimethylbenzene-4-ide;bromide.

Molecular Properties

Compound Namemagnesium;1-cyclohexyloxy-3,5-dimethylbenzene-4-ide;bromide
PubChem CID91656214
Molecular FormulaC14H19BrMgO
Molecular Weight307.51 g/mol
Exact Mass306.05
IUPAC Namemagnesium;1-cyclohexyloxy-3,5-dimethylbenzene-4-ide;bromide
SMILESCc1[c-]c(C)cc(OC2CCCCC2)c1.[Br-].[Mg+2]
InChIInChI=1S/C14H19O.BrH.Mg/c1-11-8-12(2)10-14(9-11)15-13-6-4-3-5-7-13;;/h9-10,13H,3-7H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyOECFDABLYOUHDD-UHFFFAOYSA-M
XLogP0.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;1-cyclohexyloxy-3,5-dimethylbenzene-4-ide;bromide?
The IUPAC name of magnesium;1-cyclohexyloxy-3,5-dimethylbenzene-4-ide;bromide (CID 91656214) is magnesium;1-cyclohexyloxy-3,5-dimethylbenzene-4-ide;bromide.
What is the SMILES notation for magnesium;1-cyclohexyloxy-3,5-dimethylbenzene-4-ide;bromide?
The canonical SMILES for magnesium;1-cyclohexyloxy-3,5-dimethylbenzene-4-ide;bromide is Cc1[c-]c(C)cc(OC2CCCCC2)c1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-cyclohexyloxy-3,5-dimethylbenzene-4-ide;bromide?
The InChIKey is OECFDABLYOUHDD-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H19O.BrH.Mg/c1-11-8-12(2)10-14(9-11)15-13-6-4-3-5-7-13;;/h9-10,13H,3-7H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-cyclohexyloxy-3,5-dimethylbenzene-4-ide;bromide?
magnesium;1-cyclohexyloxy-3,5-dimethylbenzene-4-ide;bromide has a molecular weight of 307.51 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-cyclohexyloxy-3,5-dimethylbenzene-4-ide;bromide is sourced from PubChem (CID 91656214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).