magnesium;ethane;oxan-2-ol;hydrobromide

C7H16BrMgO2+ — CID 173423847

IUPACmagnesium;ethane;oxan-2-ol;hydrobromide
SMILESBr.OC1CCCCO1.[CH2-]C.[Mg+2]
InChIInChI=1S/C5H10O2.C2H5.BrH.Mg/c6-5-3-1-2-4-7-5;1-2;;/h5-6H,1-4H2;1H2,2H3;1H;/q;-1;;+2
InChIKeyKWQLCECFFYUHBE-UHFFFAOYSA-N
MW236.41 g/mol
LogP1.54
Rot. Bonds

About magnesium;ethane;oxan-2-ol;hydrobromide

magnesium;ethane;oxan-2-ol;hydrobromide (PubChem CID 173423847) has the molecular formula C7H16BrMgO2+ and a molecular weight of 236.41 g/mol. Its IUPAC name is magnesium;ethane;oxan-2-ol;hydrobromide.

Molecular Properties

Compound Namemagnesium;ethane;oxan-2-ol;hydrobromide
PubChem CID173423847
Molecular FormulaC7H16BrMgO2+
Molecular Weight236.41 g/mol
Exact Mass235.02
IUPAC Namemagnesium;ethane;oxan-2-ol;hydrobromide
SMILESBr.OC1CCCCO1.[CH2-]C.[Mg+2]
InChIInChI=1S/C5H10O2.C2H5.BrH.Mg/c6-5-3-1-2-4-7-5;1-2;;/h5-6H,1-4H2;1H2,2H3;1H;/q;-1;;+2
InChIKeyKWQLCECFFYUHBE-UHFFFAOYSA-N
XLogP1.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

magnesium;oxan-2-ol;prop-1-yne
CID 173361213
methane;oxolan-2-ol
CID 174893517
CID 161132598
CID 161132598
ethene;oxolan-2-ol
CID 175689384
oxetan-2-ol
CID 175273147
1,5-dioxocan-2-ol
CID 141332060
5-hydroxypentanal;oxan-2-ol
CID 16639559
6-ethyloxan-2-one;oxan-2-ol
CID 144771613
2-ethoxypropan-2-ol;oxolan-2-ol;propane-2,2-diol
CID 145143848
dimethyl(oxan-2-yl)silane;methane
CID 172999367
2-methyloxane;hydrochloride
CID 141105834
4-methylbenzenesulfonic acid;oxolan-2-ol
CID 71367864

Frequently Asked Questions

What is the IUPAC name of magnesium;ethane;oxan-2-ol;hydrobromide?
The IUPAC name of magnesium;ethane;oxan-2-ol;hydrobromide (CID 173423847) is magnesium;ethane;oxan-2-ol;hydrobromide.
What is the SMILES notation for magnesium;ethane;oxan-2-ol;hydrobromide?
The canonical SMILES for magnesium;ethane;oxan-2-ol;hydrobromide is Br.OC1CCCCO1.[CH2-]C.[Mg+2].
What is the InChIKey of magnesium;ethane;oxan-2-ol;hydrobromide?
The InChIKey is KWQLCECFFYUHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C2H5.BrH.Mg/c6-5-3-1-2-4-7-5;1-2;;/h5-6H,1-4H2;1H2,2H3;1H;/q;-1;;+2.
What are the key properties of magnesium;ethane;oxan-2-ol;hydrobromide?
magnesium;ethane;oxan-2-ol;hydrobromide has a molecular weight of 236.41 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;ethane;oxan-2-ol;hydrobromide is sourced from PubChem (CID 173423847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).