magnesium;ethane;heptylbenzene;bromide

C15H25BrMg — CID 175337230

IUPACmagnesium;ethane;heptylbenzene;bromide
SMILESCCCCCCCc1ccccc1.[Br-].[CH2-]C.[Mg+2]
InChIInChI=1S/C13H20.C2H5.BrH.Mg/c1-2-3-4-5-7-10-13-11-8-6-9-12-13;1-2;;/h6,8-9,11-12H,2-5,7,10H2,1H3;1H2,2H3;1H;/q;-1;;+2/p-1
InChIKeyDJNOODCKEHQHSV-UHFFFAOYSA-M
MW309.57 g/mol
LogP1.66
Rot. Bonds6

About magnesium;ethane;heptylbenzene;bromide

magnesium;ethane;heptylbenzene;bromide (PubChem CID 175337230) has the molecular formula C15H25BrMg and a molecular weight of 309.57 g/mol. Its IUPAC name is magnesium;ethane;heptylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;ethane;heptylbenzene;bromide
PubChem CID175337230
Molecular FormulaC15H25BrMg
Molecular Weight309.57 g/mol
Exact Mass308.10
IUPAC Namemagnesium;ethane;heptylbenzene;bromide
SMILESCCCCCCCc1ccccc1.[Br-].[CH2-]C.[Mg+2]
InChIInChI=1S/C13H20.C2H5.BrH.Mg/c1-2-3-4-5-7-10-13-11-8-6-9-12-13;1-2;;/h6,8-9,11-12H,2-5,7,10H2,1H3;1H2,2H3;1H;/q;-1;;+2/p-1
InChIKeyDJNOODCKEHQHSV-UHFFFAOYSA-M
XLogP1.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.57
LogP ≤ 51.66
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

octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423
azane;tetradecylbenzene
CID 70503489
sodium;hydride;pentadecylbenzene
CID 173461904
potassium;hydride;octadecylbenzene
CID 173344678
acetylene;dodecylbenzene;ethane
CID 91021097

Frequently Asked Questions

What is the IUPAC name of magnesium;ethane;heptylbenzene;bromide?
The IUPAC name of magnesium;ethane;heptylbenzene;bromide (CID 175337230) is magnesium;ethane;heptylbenzene;bromide.
What is the SMILES notation for magnesium;ethane;heptylbenzene;bromide?
The canonical SMILES for magnesium;ethane;heptylbenzene;bromide is CCCCCCCc1ccccc1.[Br-].[CH2-]C.[Mg+2].
What is the InChIKey of magnesium;ethane;heptylbenzene;bromide?
The InChIKey is DJNOODCKEHQHSV-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H20.C2H5.BrH.Mg/c1-2-3-4-5-7-10-13-11-8-6-9-12-13;1-2;;/h6,8-9,11-12H,2-5,7,10H2,1H3;1H2,2H3;1H;/q;-1;;+2/p-1.
What are the key properties of magnesium;ethane;heptylbenzene;bromide?
magnesium;ethane;heptylbenzene;bromide has a molecular weight of 309.57 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;ethane;heptylbenzene;bromide is sourced from PubChem (CID 175337230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).