magnesium;1-methoxy-3-(2-methyloctan-2-yl)benzene-6-ide;bromide

C16H25BrMgO — CID 134939065

IUPACmagnesium;1-methoxy-3-(2-methyloctan-2-yl)benzene-6-ide;bromide
SMILESCCCCCCC(C)(C)c1cc[c-]c(OC)c1.[Br-].[Mg+2]
InChIInChI=1S/C16H25O.BrH.Mg/c1-5-6-7-8-12-16(2,3)14-10-9-11-15(13-14)17-4;;/h9-10,13H,5-8,12H2,1-4H3;1H;/q-1;;+2/p-1
InChIKeyOSTNWTJCTCVPGC-UHFFFAOYSA-M
MW337.58 g/mol
LogP1.37
Rot. Bonds7

About magnesium;1-methoxy-3-(2-methyloctan-2-yl)benzene-6-ide;bromide

magnesium;1-methoxy-3-(2-methyloctan-2-yl)benzene-6-ide;bromide (PubChem CID 134939065) has the molecular formula C16H25BrMgO and a molecular weight of 337.58 g/mol. Its IUPAC name is magnesium;1-methoxy-3-(2-methyloctan-2-yl)benzene-6-ide;bromide.

Molecular Properties

Compound Namemagnesium;1-methoxy-3-(2-methyloctan-2-yl)benzene-6-ide;bromide
PubChem CID134939065
Molecular FormulaC16H25BrMgO
Molecular Weight337.58 g/mol
Exact Mass336.09
IUPAC Namemagnesium;1-methoxy-3-(2-methyloctan-2-yl)benzene-6-ide;bromide
SMILESCCCCCCC(C)(C)c1cc[c-]c(OC)c1.[Br-].[Mg+2]
InChIInChI=1S/C16H25O.BrH.Mg/c1-5-6-7-8-12-16(2,3)14-10-9-11-15(13-14)17-4;;/h9-10,13H,5-8,12H2,1-4H3;1H;/q-1;;+2/p-1
InChIKeyOSTNWTJCTCVPGC-UHFFFAOYSA-M
XLogP1.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.58
LogP ≤ 51.37
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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Frequently Asked Questions

What is the IUPAC name of magnesium;1-methoxy-3-(2-methyloctan-2-yl)benzene-6-ide;bromide?
The IUPAC name of magnesium;1-methoxy-3-(2-methyloctan-2-yl)benzene-6-ide;bromide (CID 134939065) is magnesium;1-methoxy-3-(2-methyloctan-2-yl)benzene-6-ide;bromide.
What is the SMILES notation for magnesium;1-methoxy-3-(2-methyloctan-2-yl)benzene-6-ide;bromide?
The canonical SMILES for magnesium;1-methoxy-3-(2-methyloctan-2-yl)benzene-6-ide;bromide is CCCCCCC(C)(C)c1cc[c-]c(OC)c1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-methoxy-3-(2-methyloctan-2-yl)benzene-6-ide;bromide?
The InChIKey is OSTNWTJCTCVPGC-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H25O.BrH.Mg/c1-5-6-7-8-12-16(2,3)14-10-9-11-15(13-14)17-4;;/h9-10,13H,5-8,12H2,1-4H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-methoxy-3-(2-methyloctan-2-yl)benzene-6-ide;bromide?
magnesium;1-methoxy-3-(2-methyloctan-2-yl)benzene-6-ide;bromide has a molecular weight of 337.58 g/mol, XLogP of 1.37, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-methoxy-3-(2-methyloctan-2-yl)benzene-6-ide;bromide is sourced from PubChem (CID 134939065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).