magnesium bis(2-(2-hydroxycyclohexyl)butanoate)

C20H34MgO6 — CID 119057989

IUPACmagnesium bis(2-(2-hydroxycyclohexyl)butanoate)
SMILESCCC(C(=O)[O-])C1CCCCC1O.CCC(C(=O)[O-])C1CCCCC1O.[Mg+2]
InChIInChI=1S/2C10H18O3.Mg/c2*1-2-7(10(12)13)8-5-3-4-6-9(8)11;/h2*7-9,11H,2-6H2,1H3,(H,12,13);/q;;+2/p-2
InChIKeyRTJYMIRGYZRWNZ-UHFFFAOYSA-L
MW394.79 g/mol
LogP0.25
Rot. Bonds6

About magnesium bis(2-(2-hydroxycyclohexyl)butanoate)

magnesium bis(2-(2-hydroxycyclohexyl)butanoate) (PubChem CID 119057989) has the molecular formula C20H34MgO6 and a molecular weight of 394.79 g/mol. Its IUPAC name is magnesium bis(2-(2-hydroxycyclohexyl)butanoate).

Molecular Properties

Compound Namemagnesium bis(2-(2-hydroxycyclohexyl)butanoate)
PubChem CID119057989
Molecular FormulaC20H34MgO6
Molecular Weight394.79 g/mol
Exact Mass394.22
IUPAC Namemagnesium bis(2-(2-hydroxycyclohexyl)butanoate)
SMILESCCC(C(=O)[O-])C1CCCCC1O.CCC(C(=O)[O-])C1CCCCC1O.[Mg+2]
InChIInChI=1S/2C10H18O3.Mg/c2*1-2-7(10(12)13)8-5-3-4-6-9(8)11;/h2*7-9,11H,2-6H2,1H3,(H,12,13);/q;;+2/p-2
InChIKeyRTJYMIRGYZRWNZ-UHFFFAOYSA-L
XLogP0.25
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.79
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of magnesium bis(2-(2-hydroxycyclohexyl)butanoate)?
The IUPAC name of magnesium bis(2-(2-hydroxycyclohexyl)butanoate) (CID 119057989) is magnesium bis(2-(2-hydroxycyclohexyl)butanoate).
What is the SMILES notation for magnesium bis(2-(2-hydroxycyclohexyl)butanoate)?
The canonical SMILES for magnesium bis(2-(2-hydroxycyclohexyl)butanoate) is CCC(C(=O)[O-])C1CCCCC1O.CCC(C(=O)[O-])C1CCCCC1O.[Mg+2].
What is the InChIKey of magnesium bis(2-(2-hydroxycyclohexyl)butanoate)?
The InChIKey is RTJYMIRGYZRWNZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H18O3.Mg/c2*1-2-7(10(12)13)8-5-3-4-6-9(8)11;/h2*7-9,11H,2-6H2,1H3,(H,12,13);/q;;+2/p-2.
What are the key properties of magnesium bis(2-(2-hydroxycyclohexyl)butanoate)?
magnesium bis(2-(2-hydroxycyclohexyl)butanoate) has a molecular weight of 394.79 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2-(2-hydroxycyclohexyl)butanoate) is sourced from PubChem (CID 119057989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).