magnesium;hexoxysulfonyl prop-2-enoate;hydride

C9H18MgO5S — CID 174879856

IUPACmagnesium;hexoxysulfonyl prop-2-enoate;hydride
SMILESC=CC(=O)OS(=O)(=O)OCCCCCC.[H-].[H-].[Mg+2]
InChIInChI=1S/C9H16O5S.Mg.2H/c1-3-5-6-7-8-13-15(11,12)14-9(10)4-2;;;/h4H,2-3,5-8H2,1H3;;;/q;+2;2*-1
InChIKeyQTNWYCCFPJWHAJ-UHFFFAOYSA-N
MW262.61 g/mol
LogP1.40
Rot. Bonds8

About magnesium;hexoxysulfonyl prop-2-enoate;hydride

magnesium;hexoxysulfonyl prop-2-enoate;hydride (PubChem CID 174879856) has the molecular formula C9H18MgO5S and a molecular weight of 262.61 g/mol. Its IUPAC name is magnesium;hexoxysulfonyl prop-2-enoate;hydride.

Molecular Properties

Compound Namemagnesium;hexoxysulfonyl prop-2-enoate;hydride
PubChem CID174879856
Molecular FormulaC9H18MgO5S
Molecular Weight262.61 g/mol
Exact Mass262.07
IUPAC Namemagnesium;hexoxysulfonyl prop-2-enoate;hydride
SMILESC=CC(=O)OS(=O)(=O)OCCCCCC.[H-].[H-].[Mg+2]
InChIInChI=1S/C9H16O5S.Mg.2H/c1-3-5-6-7-8-13-15(11,12)14-9(10)4-2;;;/h4H,2-3,5-8H2,1H3;;;/q;+2;2*-1
InChIKeyQTNWYCCFPJWHAJ-UHFFFAOYSA-N
XLogP1.40
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.61
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

magnesium dihexyl sulfate
CID 21125103
ditetracosyl sulfate
CID 101286725
pentyl undecyl sulfate
CID 174900896
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
sodium;didodecyl sulfate;hydride;sulfuric acid
CID 174107474
pentatriacontyl prop-2-enoate
CID 141309454
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
magnesium icosyl hydrogen sulfate
CID 21125099

Frequently Asked Questions

What is the IUPAC name of magnesium;hexoxysulfonyl prop-2-enoate;hydride?
The IUPAC name of magnesium;hexoxysulfonyl prop-2-enoate;hydride (CID 174879856) is magnesium;hexoxysulfonyl prop-2-enoate;hydride.
What is the SMILES notation for magnesium;hexoxysulfonyl prop-2-enoate;hydride?
The canonical SMILES for magnesium;hexoxysulfonyl prop-2-enoate;hydride is C=CC(=O)OS(=O)(=O)OCCCCCC.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hexoxysulfonyl prop-2-enoate;hydride?
The InChIKey is QTNWYCCFPJWHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5S.Mg.2H/c1-3-5-6-7-8-13-15(11,12)14-9(10)4-2;;;/h4H,2-3,5-8H2,1H3;;;/q;+2;2*-1.
What are the key properties of magnesium;hexoxysulfonyl prop-2-enoate;hydride?
magnesium;hexoxysulfonyl prop-2-enoate;hydride has a molecular weight of 262.61 g/mol, XLogP of 1.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hexoxysulfonyl prop-2-enoate;hydride is sourced from PubChem (CID 174879856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).