magnesium;4-(2-ethenoxyethoxy)benzenesulfonic acid;hydride

C10H14MgO5S — CID 173129302

IUPACmagnesium;4-(2-ethenoxyethoxy)benzenesulfonic acid;hydride
SMILESC=COCCOc1ccc(S(=O)(=O)O)cc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H12O5S.Mg.2H/c1-2-14-7-8-15-9-3-5-10(6-4-9)16(11,12)13;;;/h2-6H,1,7-8H2,(H,11,12,13);;;/q;+2;2*-1
InChIKeyXVUCNUKTCYMUOP-UHFFFAOYSA-N
MW270.59 g/mol
LogP1.32
Rot. Bonds6

About magnesium;4-(2-ethenoxyethoxy)benzenesulfonic acid;hydride

magnesium;4-(2-ethenoxyethoxy)benzenesulfonic acid;hydride (PubChem CID 173129302) has the molecular formula C10H14MgO5S and a molecular weight of 270.59 g/mol. Its IUPAC name is magnesium;4-(2-ethenoxyethoxy)benzenesulfonic acid;hydride.

Molecular Properties

Compound Namemagnesium;4-(2-ethenoxyethoxy)benzenesulfonic acid;hydride
PubChem CID173129302
Molecular FormulaC10H14MgO5S
Molecular Weight270.59 g/mol
Exact Mass270.04
IUPAC Namemagnesium;4-(2-ethenoxyethoxy)benzenesulfonic acid;hydride
SMILESC=COCCOc1ccc(S(=O)(=O)O)cc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H12O5S.Mg.2H/c1-2-14-7-8-15-9-3-5-10(6-4-9)16(11,12)13;;;/h2-6H,1,7-8H2,(H,11,12,13);;;/q;+2;2*-1
InChIKeyXVUCNUKTCYMUOP-UHFFFAOYSA-N
XLogP1.32
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.59
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethenoxyethoxy)benzoic acid
CID 15390034
4-[2-(4-iodophenoxy)ethoxy]benzenesulfonic acid
CID 170531267
sodium 4-(2-ethenoxyethoxy)benzoate
CID 66850784
4-[2-(2-hydroxyethoxy)ethoxy]benzenesulfonic acid
CID 21471088
sodium;hydride;4-(6-hydroxyhexoxy)benzenesulfonic acid
CID 173139636
4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid
CID 20595012
1-(2-ethenoxyethoxy)-4-methylbenzene
CID 21338012
4-(11-hydroxyundecoxy)benzenesulfonic acid
CID 71377901
sodium;4-hexadecoxybenzenesulfonic acid;hydride
CID 173418063
1,5-bis[4-(2-ethenoxyethoxy)phenyl]penta-1,4-dien-3-one
CID 54454949
4-ethoxybenzenesulfonic acid
CID 7013020
4-(2-ethenoxyethoxy)benzenethiol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 173199756

Frequently Asked Questions

What is the IUPAC name of magnesium;4-(2-ethenoxyethoxy)benzenesulfonic acid;hydride?
The IUPAC name of magnesium;4-(2-ethenoxyethoxy)benzenesulfonic acid;hydride (CID 173129302) is magnesium;4-(2-ethenoxyethoxy)benzenesulfonic acid;hydride.
What is the SMILES notation for magnesium;4-(2-ethenoxyethoxy)benzenesulfonic acid;hydride?
The canonical SMILES for magnesium;4-(2-ethenoxyethoxy)benzenesulfonic acid;hydride is C=COCCOc1ccc(S(=O)(=O)O)cc1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;4-(2-ethenoxyethoxy)benzenesulfonic acid;hydride?
The InChIKey is XVUCNUKTCYMUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5S.Mg.2H/c1-2-14-7-8-15-9-3-5-10(6-4-9)16(11,12)13;;;/h2-6H,1,7-8H2,(H,11,12,13);;;/q;+2;2*-1.
What are the key properties of magnesium;4-(2-ethenoxyethoxy)benzenesulfonic acid;hydride?
magnesium;4-(2-ethenoxyethoxy)benzenesulfonic acid;hydride has a molecular weight of 270.59 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;4-(2-ethenoxyethoxy)benzenesulfonic acid;hydride is sourced from PubChem (CID 173129302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).