dizinc;bis(2-methylprop-2-enoate);bis(prop-2-enoate)

C14H16O8Zn2 — CID 157058574

IUPACdizinc;bis(2-methylprop-2-enoate);bis(prop-2-enoate)
SMILESC=C(C)C(=O)[O-].C=C(C)C(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].[Zn+2].[Zn+2]
InChIInChI=1S/2C4H6O2.2C3H4O2.2Zn/c2*1-3(2)4(5)6;2*1-2-3(4)5;;/h2*1H2,2H3,(H,5,6);2*2H,1H2,(H,4,5);;/q;;;;2*+2/p-4
InChIKeyABAVUQHSCXDDJS-UHFFFAOYSA-J
MW443.05 g/mol
LogP-3.54
Rot. Bonds4

About dizinc;bis(2-methylprop-2-enoate);bis(prop-2-enoate)

dizinc;bis(2-methylprop-2-enoate);bis(prop-2-enoate) (PubChem CID 157058574) has the molecular formula C14H16O8Zn2 and a molecular weight of 443.05 g/mol. Its IUPAC name is dizinc;bis(2-methylprop-2-enoate);bis(prop-2-enoate).

Molecular Properties

Compound Namedizinc;bis(2-methylprop-2-enoate);bis(prop-2-enoate)
PubChem CID157058574
Molecular FormulaC14H16O8Zn2
Molecular Weight443.05 g/mol
Exact Mass439.94
IUPAC Namedizinc;bis(2-methylprop-2-enoate);bis(prop-2-enoate)
SMILESC=C(C)C(=O)[O-].C=C(C)C(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].[Zn+2].[Zn+2]
InChIInChI=1S/2C4H6O2.2C3H4O2.2Zn/c2*1-3(2)4(5)6;2*1-2-3(4)5;;/h2*1H2,2H3,(H,5,6);2*2H,1H2,(H,4,5);;/q;;;;2*+2/p-4
InChIKeyABAVUQHSCXDDJS-UHFFFAOYSA-J
XLogP-3.54
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.05
LogP ≤ 5-3.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tetralithium;ethenyl-dioxido-oxo-λ5-phosphane;2-methylprop-2-enoate;prop-2-enoate
CID 142698046
2-methylprop-2-enoate
CID 19005746
gadolinium(3+);tris(2-methylprop-2-enoate)
CID 162156326
hexakis(2-methylprop-2-enoate);molybdenum
CID 173015670
bis(2-methylprop-2-enoate);samarium
CID 175299700
bis(2-methylprop-2-enoate);prop-2-enoate;tris(tributylstannanylium)
CID 173422883
sodium;ethene;2-methylprop-2-enoate
CID 23688925
calcium;2-methylprop-2-enoate;chloride
CID 174912380
chromium(3+);2-methylprop-2-enoate;chloride
CID 19738661
CID 159432817
CID 159432817
cobalt(2+);prop-2-enoate
CID 22476955
prop-2-enoate;tin(4+)
CID 22321076

Frequently Asked Questions

What is the IUPAC name of dizinc;bis(2-methylprop-2-enoate);bis(prop-2-enoate)?
The IUPAC name of dizinc;bis(2-methylprop-2-enoate);bis(prop-2-enoate) (CID 157058574) is dizinc;bis(2-methylprop-2-enoate);bis(prop-2-enoate).
What is the SMILES notation for dizinc;bis(2-methylprop-2-enoate);bis(prop-2-enoate)?
The canonical SMILES for dizinc;bis(2-methylprop-2-enoate);bis(prop-2-enoate) is C=C(C)C(=O)[O-].C=C(C)C(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].[Zn+2].[Zn+2].
What is the InChIKey of dizinc;bis(2-methylprop-2-enoate);bis(prop-2-enoate)?
The InChIKey is ABAVUQHSCXDDJS-UHFFFAOYSA-J. The full InChI is InChI=1S/2C4H6O2.2C3H4O2.2Zn/c2*1-3(2)4(5)6;2*1-2-3(4)5;;/h2*1H2,2H3,(H,5,6);2*2H,1H2,(H,4,5);;/q;;;;2*+2/p-4.
What are the key properties of dizinc;bis(2-methylprop-2-enoate);bis(prop-2-enoate)?
dizinc;bis(2-methylprop-2-enoate);bis(prop-2-enoate) has a molecular weight of 443.05 g/mol, XLogP of -3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;bis(2-methylprop-2-enoate);bis(prop-2-enoate) is sourced from PubChem (CID 157058574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).