magnesium;3-methyloctane;dibromide

C9H20Br2Mg — CID 174825221

IUPACmagnesium;3-methyloctane;dibromide
SMILESCCCCCC(C)CC.[Br-].[Br-].[Mg+2]
InChIInChI=1S/C9H20.2BrH.Mg/c1-4-6-7-8-9(3)5-2;;;/h9H,4-8H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyNQGUNADBMIHLMX-UHFFFAOYSA-L
MW312.37 g/mol
LogP-2.76
Rot. Bonds5

About magnesium;3-methyloctane;dibromide

magnesium;3-methyloctane;dibromide (PubChem CID 174825221) has the molecular formula C9H20Br2Mg and a molecular weight of 312.37 g/mol. Its IUPAC name is magnesium;3-methyloctane;dibromide.

Molecular Properties

Compound Namemagnesium;3-methyloctane;dibromide
PubChem CID174825221
Molecular FormulaC9H20Br2Mg
Molecular Weight312.37 g/mol
Exact Mass309.98
IUPAC Namemagnesium;3-methyloctane;dibromide
SMILESCCCCCC(C)CC.[Br-].[Br-].[Mg+2]
InChIInChI=1S/C9H20.2BrH.Mg/c1-4-6-7-8-9(3)5-2;;;/h9H,4-8H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyNQGUNADBMIHLMX-UHFFFAOYSA-L
XLogP-2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 5-2.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methyldodecane
CID 28469
(3R)-3-methyltetracosane
CID 162842417
3,17-dimethylheptatriacontane
CID 6431061
3,13-dimethyltritriacontane
CID 6431058
3,13,19-trimethylheptatriacontane
CID 172565400
3,17-dimethylhentriacontane
CID 6431060
(3R,11S)-3,11-dimethyltricosane
CID 163011810
methane;3-methyltridecane
CID 161019087
azane;3-methylnonane
CID 88699159

Frequently Asked Questions

What is the IUPAC name of magnesium;3-methyloctane;dibromide?
The IUPAC name of magnesium;3-methyloctane;dibromide (CID 174825221) is magnesium;3-methyloctane;dibromide.
What is the SMILES notation for magnesium;3-methyloctane;dibromide?
The canonical SMILES for magnesium;3-methyloctane;dibromide is CCCCCC(C)CC.[Br-].[Br-].[Mg+2].
What is the InChIKey of magnesium;3-methyloctane;dibromide?
The InChIKey is NQGUNADBMIHLMX-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H20.2BrH.Mg/c1-4-6-7-8-9(3)5-2;;;/h9H,4-8H2,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of magnesium;3-methyloctane;dibromide?
magnesium;3-methyloctane;dibromide has a molecular weight of 312.37 g/mol, XLogP of -2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-methyloctane;dibromide is sourced from PubChem (CID 174825221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).