magnesium;3-(6-but-2-enoyloxyhexoxycarbonyl)but-3-enoic acid;hydride

C15H24MgO6 — CID 174879892

IUPACmagnesium;3-(6-but-2-enoyloxyhexoxycarbonyl)but-3-enoic acid;hydride
SMILESC=C(CC(=O)O)C(=O)OCCCCCCOC(=O)C=CC.[H-].[H-].[Mg+2]
InChIInChI=1S/C15H22O6.Mg.2H/c1-3-8-14(18)20-9-6-4-5-7-10-21-15(19)12(2)11-13(16)17;;;/h3,8H,2,4-7,9-11H2,1H3,(H,16,17);;;/q;+2;2*-1
InChIKeyAPOIIPAJLPLDLM-UHFFFAOYSA-N
MW324.66 g/mol
LogP2.08
Rot. Bonds11

About magnesium;3-(6-but-2-enoyloxyhexoxycarbonyl)but-3-enoic acid;hydride

magnesium;3-(6-but-2-enoyloxyhexoxycarbonyl)but-3-enoic acid;hydride (PubChem CID 174879892) has the molecular formula C15H24MgO6 and a molecular weight of 324.66 g/mol. Its IUPAC name is magnesium;3-(6-but-2-enoyloxyhexoxycarbonyl)but-3-enoic acid;hydride.

Molecular Properties

Compound Namemagnesium;3-(6-but-2-enoyloxyhexoxycarbonyl)but-3-enoic acid;hydride
PubChem CID174879892
Molecular FormulaC15H24MgO6
Molecular Weight324.66 g/mol
Exact Mass324.14
IUPAC Namemagnesium;3-(6-but-2-enoyloxyhexoxycarbonyl)but-3-enoic acid;hydride
SMILESC=C(CC(=O)O)C(=O)OCCCCCCOC(=O)C=CC.[H-].[H-].[Mg+2]
InChIInChI=1S/C15H22O6.Mg.2H/c1-3-8-14(18)20-9-6-4-5-7-10-21-15(19)12(2)11-13(16)17;;;/h3,8H,2,4-7,9-11H2,1H3,(H,16,17);;;/q;+2;2*-1
InChIKeyAPOIIPAJLPLDLM-UHFFFAOYSA-N
XLogP2.08
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.66
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-tetradecoxycarbonylbut-3-enoic acid
CID 54295681
3-(16-methylheptadecoxycarbonyl)but-3-enoic acid
CID 90733703
3-[2-[2-(carboxymethyl)prop-2-enoyloxy]ethoxycarbonyl]but-3-enoic acid
CID 54264281
dodecyl (E)-but-2-enoate
CID 5462914
calcium;7-(4-but-2-enoyloxybutoxy)-7-oxoheptanoic acid;hydride
CID 174879871
5-(4-but-2-enoyloxybutoxy)-5-oxopentanoic acid
CID 160682470
12-prop-2-enoyloxydodecyl 2-methylidenebutanoate
CID 129103082
10-prop-2-enoyloxydecyl 2-methylidenebutanoate
CID 129102751
14-trichlorosilyltetradecyl but-2-enoate
CID 174106042
11-trimethoxysilylundecyl but-2-enoate
CID 141363372
7-trichlorosilylheptyl but-2-enoate
CID 174106010
13-trichlorosilyltridecyl but-2-enoate
CID 174106076

Frequently Asked Questions

What is the IUPAC name of magnesium;3-(6-but-2-enoyloxyhexoxycarbonyl)but-3-enoic acid;hydride?
The IUPAC name of magnesium;3-(6-but-2-enoyloxyhexoxycarbonyl)but-3-enoic acid;hydride (CID 174879892) is magnesium;3-(6-but-2-enoyloxyhexoxycarbonyl)but-3-enoic acid;hydride.
What is the SMILES notation for magnesium;3-(6-but-2-enoyloxyhexoxycarbonyl)but-3-enoic acid;hydride?
The canonical SMILES for magnesium;3-(6-but-2-enoyloxyhexoxycarbonyl)but-3-enoic acid;hydride is C=C(CC(=O)O)C(=O)OCCCCCCOC(=O)C=CC.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;3-(6-but-2-enoyloxyhexoxycarbonyl)but-3-enoic acid;hydride?
The InChIKey is APOIIPAJLPLDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O6.Mg.2H/c1-3-8-14(18)20-9-6-4-5-7-10-21-15(19)12(2)11-13(16)17;;;/h3,8H,2,4-7,9-11H2,1H3,(H,16,17);;;/q;+2;2*-1.
What are the key properties of magnesium;3-(6-but-2-enoyloxyhexoxycarbonyl)but-3-enoic acid;hydride?
magnesium;3-(6-but-2-enoyloxyhexoxycarbonyl)but-3-enoic acid;hydride has a molecular weight of 324.66 g/mol, XLogP of 2.08, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-(6-but-2-enoyloxyhexoxycarbonyl)but-3-enoic acid;hydride is sourced from PubChem (CID 174879892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).