magnesium;butanoic acid;hydride;propane-1,2,3-triol

C7H18MgO5 — CID 175320082

IUPACmagnesium;butanoic acid;hydride;propane-1,2,3-triol
SMILESCCCC(=O)O.OCC(O)CO.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H8O2.C3H8O3.Mg.2H/c1-2-3-4(5)6;4-1-3(6)2-5;;;/h2-3H2,1H3,(H,5,6);3-6H,1-2H2;;;/q;;+2;2*-1
InChIKeyYSMKYFJTXXKMDQ-UHFFFAOYSA-N
MW206.52 g/mol
LogP-0.95
Rot. Bonds4

About magnesium;butanoic acid;hydride;propane-1,2,3-triol

magnesium;butanoic acid;hydride;propane-1,2,3-triol (PubChem CID 175320082) has the molecular formula C7H18MgO5 and a molecular weight of 206.52 g/mol. Its IUPAC name is magnesium;butanoic acid;hydride;propane-1,2,3-triol.

Molecular Properties

Compound Namemagnesium;butanoic acid;hydride;propane-1,2,3-triol
PubChem CID175320082
Molecular FormulaC7H18MgO5
Molecular Weight206.52 g/mol
Exact Mass206.10
IUPAC Namemagnesium;butanoic acid;hydride;propane-1,2,3-triol
SMILESCCCC(=O)O.OCC(O)CO.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H8O2.C3H8O3.Mg.2H/c1-2-3-4(5)6;4-1-3(6)2-5;;;/h2-3H2,1H3,(H,5,6);3-6H,1-2H2;;;/q;;+2;2*-1
InChIKeyYSMKYFJTXXKMDQ-UHFFFAOYSA-N
XLogP-0.95
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.52
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

butanoic acid;3-sulfanylpropane-1,2-diol
CID 122611449
tetrakis(hexanoic acid);bis(propane-1,2,3-triol)
CID 173047943
barium(2+);hexadecanoic acid;hydride;propane-1,2,3-triol
CID 174723192
decakis(octadecanoic acid);decakis(propane-1,2,3-triol)
CID 159703751
tris(hexadecanoic acid);tris(propane-1,2,3-triol)
CID 175853786
propane-1,2,3-triol;bis(undecanoic acid)
CID 158255564
dodecakis(octanoic acid);decakis(propane-1,2,3-triol)
CID 173131285
hexakis(propane-1,2,3-triol);tetrakis(tetradecanoic acid)
CID 161223190
docosanoic acid;hexakis(propane-1,2,3-triol)
CID 161031010
pentakis(octadecanoic acid);pentakis(propane-1,2,3-triol)
CID 161420599
nonakis(dodecanoic acid);heptakis(propane-1,2,3-triol)
CID 159219388
hexakis(dodecanoic acid);heptakis(propane-1,2,3-triol)
CID 160909633

Frequently Asked Questions

What is the IUPAC name of magnesium;butanoic acid;hydride;propane-1,2,3-triol?
The IUPAC name of magnesium;butanoic acid;hydride;propane-1,2,3-triol (CID 175320082) is magnesium;butanoic acid;hydride;propane-1,2,3-triol.
What is the SMILES notation for magnesium;butanoic acid;hydride;propane-1,2,3-triol?
The canonical SMILES for magnesium;butanoic acid;hydride;propane-1,2,3-triol is CCCC(=O)O.OCC(O)CO.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;butanoic acid;hydride;propane-1,2,3-triol?
The InChIKey is YSMKYFJTXXKMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H8O3.Mg.2H/c1-2-3-4(5)6;4-1-3(6)2-5;;;/h2-3H2,1H3,(H,5,6);3-6H,1-2H2;;;/q;;+2;2*-1.
What are the key properties of magnesium;butanoic acid;hydride;propane-1,2,3-triol?
magnesium;butanoic acid;hydride;propane-1,2,3-triol has a molecular weight of 206.52 g/mol, XLogP of -0.95, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butanoic acid;hydride;propane-1,2,3-triol is sourced from PubChem (CID 175320082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).