magnesium bis(2-hydroxyhexanoate)

C12H22MgO6 — CID 139844837

IUPACmagnesium bis(2-hydroxyhexanoate)
SMILESCCCCC(O)C(=O)[O-].CCCCC(O)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C6H12O3.Mg/c2*1-2-3-4-5(7)6(8)9;/h2*5,7H,2-4H2,1H3,(H,8,9);/q;;+2/p-2
InChIKeyHVFVAKYOUYJNMS-UHFFFAOYSA-L
MW286.61 g/mol
LogP-1.81
Rot. Bonds8

About magnesium bis(2-hydroxyhexanoate)

magnesium bis(2-hydroxyhexanoate) (PubChem CID 139844837) has the molecular formula C12H22MgO6 and a molecular weight of 286.61 g/mol. Its IUPAC name is magnesium bis(2-hydroxyhexanoate).

Molecular Properties

Compound Namemagnesium bis(2-hydroxyhexanoate)
PubChem CID139844837
Molecular FormulaC12H22MgO6
Molecular Weight286.61 g/mol
Exact Mass286.13
IUPAC Namemagnesium bis(2-hydroxyhexanoate)
SMILESCCCCC(O)C(=O)[O-].CCCCC(O)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C6H12O3.Mg/c2*1-2-3-4-5(7)6(8)9;/h2*5,7H,2-4H2,1H3,(H,8,9);/q;;+2/p-2
InChIKeyHVFVAKYOUYJNMS-UHFFFAOYSA-L
XLogP-1.81
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.61
LogP ≤ 5-1.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-hydroxyheptanoate
CID 7054559
(2S)-2-hydroxyoctadecanoate
CID 21145041
2-hydroxydocosanoate
CID 22361325
azanium 2-hydroxydodecanoate
CID 139935066
zinc bis(2-hydroxyhexadecanoate)
CID 159204851
strontium bis(2-hydroxytetradecanoate)
CID 19990057
bis(butan-1-olate);bis(2-hydroxydecanoate);titanium(4+)
CID 173116616
sodium (Z)-2-hydroxyicos-11-enoate
CID 141048065
(2R)-2-hydroxyhexanoic acid
CID 6995511
(12Z,15Z,18Z,21Z,24Z)-2-hydroxytriaconta-12,15,18,21,24-pentaenoate
CID 86583452
(2R)-2-methylhexanoate
CID 6999857
carbonic acid;2-hydroxyhexanoic acid
CID 160541051

Frequently Asked Questions

What is the IUPAC name of magnesium bis(2-hydroxyhexanoate)?
The IUPAC name of magnesium bis(2-hydroxyhexanoate) (CID 139844837) is magnesium bis(2-hydroxyhexanoate).
What is the SMILES notation for magnesium bis(2-hydroxyhexanoate)?
The canonical SMILES for magnesium bis(2-hydroxyhexanoate) is CCCCC(O)C(=O)[O-].CCCCC(O)C(=O)[O-].[Mg+2].
What is the InChIKey of magnesium bis(2-hydroxyhexanoate)?
The InChIKey is HVFVAKYOUYJNMS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H12O3.Mg/c2*1-2-3-4-5(7)6(8)9;/h2*5,7H,2-4H2,1H3,(H,8,9);/q;;+2/p-2.
What are the key properties of magnesium bis(2-hydroxyhexanoate)?
magnesium bis(2-hydroxyhexanoate) has a molecular weight of 286.61 g/mol, XLogP of -1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2-hydroxyhexanoate) is sourced from PubChem (CID 139844837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).