magnesium;1,1,4,4,7-pentamethyl-3,6-dihydro-2H-naphthalen-6-ide;bromide

C15H21BrMg — CID 20707165

IUPACmagnesium;1,1,4,4,7-pentamethyl-3,6-dihydro-2H-naphthalen-6-ide;bromide
SMILESCc1[c-]cc2c(c1)C(C)(C)CCC2(C)C.[Br-].[Mg+2]
InChIInChI=1S/C15H21.BrH.Mg/c1-11-6-7-12-13(10-11)15(4,5)9-8-14(12,2)3;;/h7,10H,8-9H2,1-5H3;1H;/q-1;;+2/p-1
InChIKeyZHQQIVDYQLMXDA-UHFFFAOYSA-M
MW305.54 g/mol
LogP0.77
Rot. Bonds

About magnesium;1,1,4,4,7-pentamethyl-3,6-dihydro-2H-naphthalen-6-ide;bromide

magnesium;1,1,4,4,7-pentamethyl-3,6-dihydro-2H-naphthalen-6-ide;bromide (PubChem CID 20707165) has the molecular formula C15H21BrMg and a molecular weight of 305.54 g/mol. Its IUPAC name is magnesium;1,1,4,4,7-pentamethyl-3,6-dihydro-2H-naphthalen-6-ide;bromide.

Molecular Properties

Compound Namemagnesium;1,1,4,4,7-pentamethyl-3,6-dihydro-2H-naphthalen-6-ide;bromide
PubChem CID20707165
Molecular FormulaC15H21BrMg
Molecular Weight305.54 g/mol
Exact Mass304.07
IUPAC Namemagnesium;1,1,4,4,7-pentamethyl-3,6-dihydro-2H-naphthalen-6-ide;bromide
SMILESCc1[c-]cc2c(c1)C(C)(C)CCC2(C)C.[Br-].[Mg+2]
InChIInChI=1S/C15H21.BrH.Mg/c1-11-6-7-12-13(10-11)15(4,5)9-8-14(12,2)3;;/h7,10H,8-9H2,1-5H3;1H;/q-1;;+2/p-1
InChIKeyZHQQIVDYQLMXDA-UHFFFAOYSA-M
XLogP0.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.54
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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;1,1,4,4,7-pentamethyl-3,6-dihydro-2H-naphthalen-6-ide;bromide?
The IUPAC name of magnesium;1,1,4,4,7-pentamethyl-3,6-dihydro-2H-naphthalen-6-ide;bromide (CID 20707165) is magnesium;1,1,4,4,7-pentamethyl-3,6-dihydro-2H-naphthalen-6-ide;bromide.
What is the SMILES notation for magnesium;1,1,4,4,7-pentamethyl-3,6-dihydro-2H-naphthalen-6-ide;bromide?
The canonical SMILES for magnesium;1,1,4,4,7-pentamethyl-3,6-dihydro-2H-naphthalen-6-ide;bromide is Cc1[c-]cc2c(c1)C(C)(C)CCC2(C)C.[Br-].[Mg+2].
What is the InChIKey of magnesium;1,1,4,4,7-pentamethyl-3,6-dihydro-2H-naphthalen-6-ide;bromide?
The InChIKey is ZHQQIVDYQLMXDA-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H21.BrH.Mg/c1-11-6-7-12-13(10-11)15(4,5)9-8-14(12,2)3;;/h7,10H,8-9H2,1-5H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,1,4,4,7-pentamethyl-3,6-dihydro-2H-naphthalen-6-ide;bromide?
magnesium;1,1,4,4,7-pentamethyl-3,6-dihydro-2H-naphthalen-6-ide;bromide has a molecular weight of 305.54 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,1,4,4,7-pentamethyl-3,6-dihydro-2H-naphthalen-6-ide;bromide is sourced from PubChem (CID 20707165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).