magnesium 2-[carboxylato(ethoxy)methoxy]-3-hydroxypropanoate

C7H10MgO7 — CID 158356725

IUPACmagnesium 2-[carboxylato(ethoxy)methoxy]-3-hydroxypropanoate
SMILESCCOC(OC(CO)C(=O)[O-])C(=O)[O-].[Mg+2]
InChIInChI=1S/C7H12O7.Mg/c1-2-13-7(6(11)12)14-4(3-8)5(9)10;/h4,7-8H,2-3H2,1H3,(H,9,10)(H,11,12);/q;+2/p-2
InChIKeyGSYVIXRYMABYAC-UHFFFAOYSA-L
MW230.45 g/mol
LogP-4.15
Rot. Bonds7

About magnesium 2-[carboxylato(ethoxy)methoxy]-3-hydroxypropanoate

magnesium 2-[carboxylato(ethoxy)methoxy]-3-hydroxypropanoate (PubChem CID 158356725) has the molecular formula C7H10MgO7 and a molecular weight of 230.45 g/mol. Its IUPAC name is magnesium 2-[carboxylato(ethoxy)methoxy]-3-hydroxypropanoate.

Molecular Properties

Compound Namemagnesium 2-[carboxylato(ethoxy)methoxy]-3-hydroxypropanoate
PubChem CID158356725
Molecular FormulaC7H10MgO7
Molecular Weight230.45 g/mol
Exact Mass230.03
IUPAC Namemagnesium 2-[carboxylato(ethoxy)methoxy]-3-hydroxypropanoate
SMILESCCOC(OC(CO)C(=O)[O-])C(=O)[O-].[Mg+2]
InChIInChI=1S/C7H12O7.Mg/c1-2-13-7(6(11)12)14-4(3-8)5(9)10;/h4,7-8H,2-3H2,1H3,(H,9,10)(H,11,12);/q;+2/p-2
InChIKeyGSYVIXRYMABYAC-UHFFFAOYSA-L
XLogP-4.15
TPSA118.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.45
LogP ≤ 5-4.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-diethoxyacetate
CID 22600241
potassium 2,2-diethoxyacetate
CID 87278402
2-ethoxybutanoate
CID 21321797
cerium(3+);tris(2-ethoxyhexanoate)
CID 22559432
sodium 2-ethoxypropanoate
CID 141029681
2-ethoxybut-3-enoate
CID 22378460
2-ethoxy-3-methylbutanoate
CID 23183641
3-hydroxy-2-propoxypropanoic acid
CID 87915368
carbonic acid;2-ethoxypropane-1,3-diol
CID 175422223
diazanium;2-butyl-5-ethoxyhexanedioate
CID 156787256
ethyl 2-acetyloxy-3-hydroxypropanoate
CID 88644525
barium(2+);2-(carboxylatomethoxy)butanoate
CID 87916357

Frequently Asked Questions

What is the IUPAC name of magnesium 2-[carboxylato(ethoxy)methoxy]-3-hydroxypropanoate?
The IUPAC name of magnesium 2-[carboxylato(ethoxy)methoxy]-3-hydroxypropanoate (CID 158356725) is magnesium 2-[carboxylato(ethoxy)methoxy]-3-hydroxypropanoate.
What is the SMILES notation for magnesium 2-[carboxylato(ethoxy)methoxy]-3-hydroxypropanoate?
The canonical SMILES for magnesium 2-[carboxylato(ethoxy)methoxy]-3-hydroxypropanoate is CCOC(OC(CO)C(=O)[O-])C(=O)[O-].[Mg+2].
What is the InChIKey of magnesium 2-[carboxylato(ethoxy)methoxy]-3-hydroxypropanoate?
The InChIKey is GSYVIXRYMABYAC-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H12O7.Mg/c1-2-13-7(6(11)12)14-4(3-8)5(9)10;/h4,7-8H,2-3H2,1H3,(H,9,10)(H,11,12);/q;+2/p-2.
What are the key properties of magnesium 2-[carboxylato(ethoxy)methoxy]-3-hydroxypropanoate?
magnesium 2-[carboxylato(ethoxy)methoxy]-3-hydroxypropanoate has a molecular weight of 230.45 g/mol, XLogP of -4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 2-[carboxylato(ethoxy)methoxy]-3-hydroxypropanoate is sourced from PubChem (CID 158356725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).