magnesium bis(4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)-2-propylpentanoate)

C34H50MgO12 — CID 141469581

IUPACmagnesium bis(4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)-2-propylpentanoate)
SMILESC=CC(=O)OC(C)CC(CCC)(CC(C)OC(=O)C=C)C(=O)[O-].C=CC(=O)OC(C)CC(CCC)(CC(C)OC(=O)C=C)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C17H26O6.Mg/c2*1-6-9-17(16(20)21,10-12(4)22-14(18)7-2)11-13(5)23-15(19)8-3;/h2*7-8,12-13H,2-3,6,9-11H2,1,4-5H3,(H,20,21);/q;;+2/p-2
InChIKeyVCVWVGLQMAIIDZ-UHFFFAOYSA-L
MW675.07 g/mol
LogP2.70
Rot. Bonds22

About magnesium bis(4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)-2-propylpentanoate)

magnesium bis(4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)-2-propylpentanoate) (PubChem CID 141469581) has the molecular formula C34H50MgO12 and a molecular weight of 675.07 g/mol. Its IUPAC name is magnesium bis(4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)-2-propylpentanoate).

Molecular Properties

Compound Namemagnesium bis(4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)-2-propylpentanoate)
PubChem CID141469581
Molecular FormulaC34H50MgO12
Molecular Weight675.07 g/mol
Exact Mass674.32
IUPAC Namemagnesium bis(4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)-2-propylpentanoate)
SMILESC=CC(=O)OC(C)CC(CCC)(CC(C)OC(=O)C=C)C(=O)[O-].C=CC(=O)OC(C)CC(CCC)(CC(C)OC(=O)C=C)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C17H26O6.Mg/c2*1-6-9-17(16(20)21,10-12(4)22-14(18)7-2)11-13(5)23-15(19)8-3;/h2*7-8,12-13H,2-3,6,9-11H2,1,4-5H3,(H,20,21);/q;;+2/p-2
InChIKeyVCVWVGLQMAIIDZ-UHFFFAOYSA-L
XLogP2.70
TPSA185.46 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.07
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze magnesium bis(4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)-2-propylpentanoate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)pentanoate;rubidium(1+)
CID 141469617
(4-amino-4-ethylhexan-2-yl) prop-2-enoate
CID 175405192
CID 172734708
CID 172734708
(5-hydroxy-7-prop-2-enoyloxy-5-propylnonan-3-yl) prop-2-enoate
CID 173131238
4,4,6,6,8-pentamethylnonan-2-yl prop-2-enoate
CID 57276190
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
sodium 4-oxobutan-2-yl prop-2-enoate
CID 161109002
4-prop-2-enoyloxynonan-2-yl prop-2-enoate
CID 102116709
5-methylhexan-2-yl prop-2-enoate
CID 151222941
dimethyl-octadecyl-(2-prop-2-enoyloxypropyl)azanium chloride
CID 87453745
(3,3-dimethyl-2-prop-2-enoyloxybutyl) 2,2-dimethylpentanoate
CID 88562783
1-aminopropyl prop-2-enoate;butane
CID 87190109

Frequently Asked Questions

What is the IUPAC name of magnesium bis(4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)-2-propylpentanoate)?
The IUPAC name of magnesium bis(4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)-2-propylpentanoate) (CID 141469581) is magnesium bis(4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)-2-propylpentanoate).
What is the SMILES notation for magnesium bis(4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)-2-propylpentanoate)?
The canonical SMILES for magnesium bis(4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)-2-propylpentanoate) is C=CC(=O)OC(C)CC(CCC)(CC(C)OC(=O)C=C)C(=O)[O-].C=CC(=O)OC(C)CC(CCC)(CC(C)OC(=O)C=C)C(=O)[O-].[Mg+2].
What is the InChIKey of magnesium bis(4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)-2-propylpentanoate)?
The InChIKey is VCVWVGLQMAIIDZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H26O6.Mg/c2*1-6-9-17(16(20)21,10-12(4)22-14(18)7-2)11-13(5)23-15(19)8-3;/h2*7-8,12-13H,2-3,6,9-11H2,1,4-5H3,(H,20,21);/q;;+2/p-2.
What are the key properties of magnesium bis(4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)-2-propylpentanoate)?
magnesium bis(4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)-2-propylpentanoate) has a molecular weight of 675.07 g/mol, XLogP of 2.70, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)-2-propylpentanoate) is sourced from PubChem (CID 141469581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).