prop-2-enoyl 2-methylprop-2-enoate;zinc

C7H8O3Zn2 — CID 146295420

IUPACprop-2-enoyl 2-methylprop-2-enoate;zinc
SMILESC=CC(=O)OC(=O)C(=C)C.[Zn].[Zn]
InChIInChI=1S/C7H8O3.2Zn/c1-4-6(8)10-7(9)5(2)3;;/h4H,1-2H2,3H3;;
InChIKeyPPWMOMQDBXJMTB-UHFFFAOYSA-N
MW270.92 g/mol
LogP0.81
Rot. Bonds2

About prop-2-enoyl 2-methylprop-2-enoate;zinc

prop-2-enoyl 2-methylprop-2-enoate;zinc (PubChem CID 146295420) has the molecular formula C7H8O3Zn2 and a molecular weight of 270.92 g/mol. Its IUPAC name is prop-2-enoyl 2-methylprop-2-enoate;zinc.

Molecular Properties

Compound Nameprop-2-enoyl 2-methylprop-2-enoate;zinc
PubChem CID146295420
Molecular FormulaC7H8O3Zn2
Molecular Weight270.92 g/mol
Exact Mass267.91
IUPAC Nameprop-2-enoyl 2-methylprop-2-enoate;zinc
SMILESC=CC(=O)OC(=O)C(=C)C.[Zn].[Zn]
InChIInChI=1S/C7H8O3.2Zn/c1-4-6(8)10-7(9)5(2)3;;/h4H,1-2H2,3H3;;
InChIKeyPPWMOMQDBXJMTB-UHFFFAOYSA-N
XLogP0.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.92
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

butane;prop-2-enoyl 2-methylprop-2-enoate
CID 174895083
butane-1,4-diol;prop-2-enoyl 2-methylprop-2-enoate
CID 87815570
2-methylbuta-1,3-diene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 87864709
oxaldehydoyl 2-methylprop-2-enoate
CID 87845932
prop-2-enoyl 2,3-dimethylbut-2-enoate
CID 87154660
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174822092
azane;prop-2-enoyl 2,3-dimethylbut-2-enoate
CID 175698195
2-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxyprop-2-enoic acid
CID 154089155
disodium;hydride;prop-2-enoyl 2-methylbut-2-enoate
CID 173200570
[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl] 2-methylprop-2-enoate
CID 166124468
methyl 2-hydroxyprop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174692194

Frequently Asked Questions

What is the IUPAC name of prop-2-enoyl 2-methylprop-2-enoate;zinc?
The IUPAC name of prop-2-enoyl 2-methylprop-2-enoate;zinc (CID 146295420) is prop-2-enoyl 2-methylprop-2-enoate;zinc.
What is the SMILES notation for prop-2-enoyl 2-methylprop-2-enoate;zinc?
The canonical SMILES for prop-2-enoyl 2-methylprop-2-enoate;zinc is C=CC(=O)OC(=O)C(=C)C.[Zn].[Zn].
What is the InChIKey of prop-2-enoyl 2-methylprop-2-enoate;zinc?
The InChIKey is PPWMOMQDBXJMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3.2Zn/c1-4-6(8)10-7(9)5(2)3;;/h4H,1-2H2,3H3;;.
What are the key properties of prop-2-enoyl 2-methylprop-2-enoate;zinc?
prop-2-enoyl 2-methylprop-2-enoate;zinc has a molecular weight of 270.92 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoyl 2-methylprop-2-enoate;zinc is sourced from PubChem (CID 146295420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).