magnesium;octadecane;bromide

C18H37BrMg — CID 12546206

IUPACmagnesium;octadecane;bromide
SMILES[Br-].[CH2-]CCCCCCCCCCCCCCCCC.[Mg+2]
InChIInChI=1S/C18H37.BrH.Mg/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;/h1,3-18H2,2H3;1H;/q-1;;+2/p-1
InChIKeyYSYQIXDHCLAVCF-UHFFFAOYSA-M
MW357.70 g/mol
LogP3.71
Rot. Bonds15

About magnesium;octadecane;bromide

magnesium;octadecane;bromide (PubChem CID 12546206) has the molecular formula C18H37BrMg and a molecular weight of 357.70 g/mol. Its IUPAC name is magnesium;octadecane;bromide.

Molecular Properties

Compound Namemagnesium;octadecane;bromide
PubChem CID12546206
Molecular FormulaC18H37BrMg
Molecular Weight357.70 g/mol
Exact Mass356.19
IUPAC Namemagnesium;octadecane;bromide
SMILES[Br-].[CH2-]CCCCCCCCCCCCCCCCC.[Mg+2]
InChIInChI=1S/C18H37.BrH.Mg/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;/h1,3-18H2,2H3;1H;/q-1;;+2/p-1
InChIKeyYSYQIXDHCLAVCF-UHFFFAOYSA-M
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.70
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;octadecane;bromide?
The IUPAC name of magnesium;octadecane;bromide (CID 12546206) is magnesium;octadecane;bromide.
What is the SMILES notation for magnesium;octadecane;bromide?
The canonical SMILES for magnesium;octadecane;bromide is [Br-].[CH2-]CCCCCCCCCCCCCCCCC.[Mg+2].
What is the InChIKey of magnesium;octadecane;bromide?
The InChIKey is YSYQIXDHCLAVCF-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H37.BrH.Mg/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;/h1,3-18H2,2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;octadecane;bromide?
magnesium;octadecane;bromide has a molecular weight of 357.70 g/mol, XLogP of 3.71, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;octadecane;bromide is sourced from PubChem (CID 12546206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).