magnesium;oxolane;propylbenzene;dibromide

C13H20Br2MgO — CID 174718699

IUPACmagnesium;oxolane;propylbenzene;dibromide
SMILESC1CCOC1.CCCc1ccccc1.[Br-].[Br-].[Mg+2]
InChIInChI=1S/C9H12.C4H8O.2BrH.Mg/c1-2-6-9-7-4-3-5-8-9;1-2-4-5-3-1;;;/h3-5,7-8H,2,6H2,1H3;1-4H2;2*1H;/q;;;;+2/p-2
InChIKeyMMIMTBHNGRMWRB-UHFFFAOYSA-L
MW376.42 g/mol
LogP-2.94
Rot. Bonds2

About magnesium;oxolane;propylbenzene;dibromide

magnesium;oxolane;propylbenzene;dibromide (PubChem CID 174718699) has the molecular formula C13H20Br2MgO and a molecular weight of 376.42 g/mol. Its IUPAC name is magnesium;oxolane;propylbenzene;dibromide.

Molecular Properties

Compound Namemagnesium;oxolane;propylbenzene;dibromide
PubChem CID174718699
Molecular FormulaC13H20Br2MgO
Molecular Weight376.42 g/mol
Exact Mass373.97
IUPAC Namemagnesium;oxolane;propylbenzene;dibromide
SMILESC1CCOC1.CCCc1ccccc1.[Br-].[Br-].[Mg+2]
InChIInChI=1S/C9H12.C4H8O.2BrH.Mg/c1-2-6-9-7-4-3-5-8-9;1-2-4-5-3-1;;;/h3-5,7-8H,2,6H2,1H3;1-4H2;2*1H;/q;;;;+2/p-2
InChIKeyMMIMTBHNGRMWRB-UHFFFAOYSA-L
XLogP-2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 5-2.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethylbenzene;hexane;oxolane
CID 86585711
propylbenzene tetraiodide
CID 23321652
propylbenzene;hydrobromide
CID 70024036
potassium;hydride;propylbenzene
CID 174749122
CID 11039089
CID 11039089
oxane;3-phenylpropanoic acid
CID 175586375
magnesium;1-phenyl-4-propylbenzene;bromide
CID 172966719
butylbenzene;propylbenzene
CID 142022125
lithium;ethyne;propylbenzene
CID 174833014
carbanide;ethane;lanthanum;propane;propylbenzene
CID 161064679
ethane;ethylbenzene;propylbenzene
CID 153343160
1-bromopropane;propylbenzene
CID 158382353

Frequently Asked Questions

What is the IUPAC name of magnesium;oxolane;propylbenzene;dibromide?
The IUPAC name of magnesium;oxolane;propylbenzene;dibromide (CID 174718699) is magnesium;oxolane;propylbenzene;dibromide.
What is the SMILES notation for magnesium;oxolane;propylbenzene;dibromide?
The canonical SMILES for magnesium;oxolane;propylbenzene;dibromide is C1CCOC1.CCCc1ccccc1.[Br-].[Br-].[Mg+2].
What is the InChIKey of magnesium;oxolane;propylbenzene;dibromide?
The InChIKey is MMIMTBHNGRMWRB-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H12.C4H8O.2BrH.Mg/c1-2-6-9-7-4-3-5-8-9;1-2-4-5-3-1;;;/h3-5,7-8H,2,6H2,1H3;1-4H2;2*1H;/q;;;;+2/p-2.
What are the key properties of magnesium;oxolane;propylbenzene;dibromide?
magnesium;oxolane;propylbenzene;dibromide has a molecular weight of 376.42 g/mol, XLogP of -2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;oxolane;propylbenzene;dibromide is sourced from PubChem (CID 174718699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).