magnesium bis(3-hydroxypentanoate)

C10H18MgO6 — CID 164775085

IUPACmagnesium bis(3-hydroxypentanoate)
SMILESCCC(O)CC(=O)[O-].CCC(O)CC(=O)[O-].[Mg+2]
InChIInChI=1S/2C5H10O3.Mg/c2*1-2-4(6)3-5(7)8;/h2*4,6H,2-3H2,1H3,(H,7,8);/q;;+2/p-2
InChIKeyFLNXXXJXOVQHOX-UHFFFAOYSA-L
MW258.55 g/mol
LogP-2.59
Rot. Bonds6

About magnesium bis(3-hydroxypentanoate)

magnesium bis(3-hydroxypentanoate) (PubChem CID 164775085) has the molecular formula C10H18MgO6 and a molecular weight of 258.55 g/mol. Its IUPAC name is magnesium bis(3-hydroxypentanoate).

Molecular Properties

Compound Namemagnesium bis(3-hydroxypentanoate)
PubChem CID164775085
Molecular FormulaC10H18MgO6
Molecular Weight258.55 g/mol
Exact Mass258.10
IUPAC Namemagnesium bis(3-hydroxypentanoate)
SMILESCCC(O)CC(=O)[O-].CCC(O)CC(=O)[O-].[Mg+2]
InChIInChI=1S/2C5H10O3.Mg/c2*1-2-4(6)3-5(7)8;/h2*4,6H,2-3H2,1H3,(H,7,8);/q;;+2/p-2
InChIKeyFLNXXXJXOVQHOX-UHFFFAOYSA-L
XLogP-2.59
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.55
LogP ≤ 5-2.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-6-methyloctanoate
CID 23176792
(3S)-3-hydroxyoctanoate
CID 86308677
(3R)-4-bromo-3-hydroxybutanoate
CID 18610873
3-hydroxypentanoic acid;methanol
CID 174973747
3-(3-hydroxypentanoyloxy)-4-(trimethylazaniumyl)butanoate
CID 118194969
potassium 3-hydroxydodecanoate
CID 171061524
3-hydroxypentanamide;hydrochloride
CID 174591125
(3S)-3-azaniumylpentanoate
CID 25417383
(3S)-3-hydroxyhexanedioate
CID 20848934
potassium 5-hydroxyheptanoate
CID 23698795
potassium (3R)-3-hydroxybutanoate
CID 23704427
disodium bis(3-hydroxybutanoate)
CID 140970617

Frequently Asked Questions

What is the IUPAC name of magnesium bis(3-hydroxypentanoate)?
The IUPAC name of magnesium bis(3-hydroxypentanoate) (CID 164775085) is magnesium bis(3-hydroxypentanoate).
What is the SMILES notation for magnesium bis(3-hydroxypentanoate)?
The canonical SMILES for magnesium bis(3-hydroxypentanoate) is CCC(O)CC(=O)[O-].CCC(O)CC(=O)[O-].[Mg+2].
What is the InChIKey of magnesium bis(3-hydroxypentanoate)?
The InChIKey is FLNXXXJXOVQHOX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H10O3.Mg/c2*1-2-4(6)3-5(7)8;/h2*4,6H,2-3H2,1H3,(H,7,8);/q;;+2/p-2.
What are the key properties of magnesium bis(3-hydroxypentanoate)?
magnesium bis(3-hydroxypentanoate) has a molecular weight of 258.55 g/mol, XLogP of -2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(3-hydroxypentanoate) is sourced from PubChem (CID 164775085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).