magnesium;3-prop-2-enoxyprop-1-ene;sulfate

C6H10MgO5S — CID 87083397

IUPACmagnesium;3-prop-2-enoxyprop-1-ene;sulfate
SMILESC=CCOCC=C.O=S(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/C6H10O.Mg.H2O4S/c1-3-5-7-6-4-2;;1-5(2,3)4/h3-4H,1-2,5-6H2;;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyZSELEQBHQMBRJF-UHFFFAOYSA-L
MW218.51 g/mol
LogP-0.34
Rot. Bonds4

About magnesium;3-prop-2-enoxyprop-1-ene;sulfate

magnesium;3-prop-2-enoxyprop-1-ene;sulfate (PubChem CID 87083397) has the molecular formula C6H10MgO5S and a molecular weight of 218.51 g/mol. Its IUPAC name is magnesium;3-prop-2-enoxyprop-1-ene;sulfate.

Molecular Properties

Compound Namemagnesium;3-prop-2-enoxyprop-1-ene;sulfate
PubChem CID87083397
Molecular FormulaC6H10MgO5S
Molecular Weight218.51 g/mol
Exact Mass218.01
IUPAC Namemagnesium;3-prop-2-enoxyprop-1-ene;sulfate
SMILESC=CCOCC=C.O=S(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/C6H10O.Mg.H2O4S/c1-3-5-7-6-4-2;;1-5(2,3)4/h3-4H,1-2,5-6H2;;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyZSELEQBHQMBRJF-UHFFFAOYSA-L
XLogP-0.34
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.51
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

dipotassium;3-prop-2-enoxyprop-1-ene;sulfate
CID 173463307
disodium;3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ene;sulfate
CID 173410015
methane;3-prop-2-enoxyprop-1-ene;sulfuric acid
CID 87964358
azane;osmium(2+);3-prop-2-enoxyprop-1-ene;bis(trifluoromethanesulfonate)
CID 135047319
Potassium allyloxide
CID 87828396
3-prop-2-enoxypropane-1-sulfonate
CID 3556888
lithium prop-2-enyl sulfate
CID 87403119
disodium;1-prop-2-enoxydodecane;sulfate
CID 173057156
azane;3-prop-2-enoxyprop-1-ene;hydrochloride
CID 173111955
CID 88655409
CID 88655409
aluminum tris(prop-2-enyl sulfate)
CID 173336945
tris(prop-1-ene);3-prop-2-enoxyprop-1-ene
CID 175414947

Frequently Asked Questions

What is the IUPAC name of magnesium;3-prop-2-enoxyprop-1-ene;sulfate?
The IUPAC name of magnesium;3-prop-2-enoxyprop-1-ene;sulfate (CID 87083397) is magnesium;3-prop-2-enoxyprop-1-ene;sulfate.
What is the SMILES notation for magnesium;3-prop-2-enoxyprop-1-ene;sulfate?
The canonical SMILES for magnesium;3-prop-2-enoxyprop-1-ene;sulfate is C=CCOCC=C.O=S(=O)([O-])[O-].[Mg+2].
What is the InChIKey of magnesium;3-prop-2-enoxyprop-1-ene;sulfate?
The InChIKey is ZSELEQBHQMBRJF-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H10O.Mg.H2O4S/c1-3-5-7-6-4-2;;1-5(2,3)4/h3-4H,1-2,5-6H2;;(H2,1,2,3,4)/q;+2;/p-2.
What are the key properties of magnesium;3-prop-2-enoxyprop-1-ene;sulfate?
magnesium;3-prop-2-enoxyprop-1-ene;sulfate has a molecular weight of 218.51 g/mol, XLogP of -0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-prop-2-enoxyprop-1-ene;sulfate is sourced from PubChem (CID 87083397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).