2-methylprop-2-enoyl pentanoate;zinc

C9H14O3Zn — CID 174879847

IUPAC2-methylprop-2-enoyl pentanoate;zinc
SMILESC=C(C)C(=O)OC(=O)CCCC.[Zn]
InChIInChI=1S/C9H14O3.Zn/c1-4-5-6-8(10)12-9(11)7(2)3;/h2,4-6H2,1,3H3;
InChIKeyCSIIJXRSMPZLDY-UHFFFAOYSA-N
MW235.60 g/mol
LogP1.82
Rot. Bonds4

About 2-methylprop-2-enoyl pentanoate;zinc

2-methylprop-2-enoyl pentanoate;zinc (PubChem CID 174879847) has the molecular formula C9H14O3Zn and a molecular weight of 235.60 g/mol. Its IUPAC name is 2-methylprop-2-enoyl pentanoate;zinc.

Molecular Properties

Compound Name2-methylprop-2-enoyl pentanoate;zinc
PubChem CID174879847
Molecular FormulaC9H14O3Zn
Molecular Weight235.60 g/mol
Exact Mass234.02
IUPAC Name2-methylprop-2-enoyl pentanoate;zinc
SMILESC=C(C)C(=O)OC(=O)CCCC.[Zn]
InChIInChI=1S/C9H14O3.Zn/c1-4-5-6-8(10)12-9(11)7(2)3;/h2,4-6H2,1,3H3;
InChIKeyCSIIJXRSMPZLDY-UHFFFAOYSA-N
XLogP1.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.60
LogP ≤ 51.82
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

2-methylprop-2-enoyl decanoate;zinc
CID 174880295
2-methylprop-2-enoyl dodecanoate;zinc
CID 175007259
2-methylprop-2-enoyl butanoate
CID 19018301
2-methylprop-2-enoyl butanoate;zirconium
CID 87105460
2-methylprop-2-enoyl 4-ethoxybutanoate
CID 174272804
2-methylidenebutanoyl hexanoate
CID 170553274
dipentanoyl hexanedioate
CID 174373362
1-tetradecanoyloxyethenyl tetradecanoate
CID 141442366
1-butoxyethenyl 2-methylprop-2-enoate
CID 139616041
2-(2-methylprop-2-enoyloxy)ethyl docosanoate
CID 135130314
ethyl 2-methylprop-2-enoate;prop-2-enoyl octadecanoate
CID 174977721
alumane;tetradecanoyl tetradecanoate;zinc
CID 173056587

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyl pentanoate;zinc?
The IUPAC name of 2-methylprop-2-enoyl pentanoate;zinc (CID 174879847) is 2-methylprop-2-enoyl pentanoate;zinc.
What is the SMILES notation for 2-methylprop-2-enoyl pentanoate;zinc?
The canonical SMILES for 2-methylprop-2-enoyl pentanoate;zinc is C=C(C)C(=O)OC(=O)CCCC.[Zn].
What is the InChIKey of 2-methylprop-2-enoyl pentanoate;zinc?
The InChIKey is CSIIJXRSMPZLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3.Zn/c1-4-5-6-8(10)12-9(11)7(2)3;/h2,4-6H2,1,3H3;.
What are the key properties of 2-methylprop-2-enoyl pentanoate;zinc?
2-methylprop-2-enoyl pentanoate;zinc has a molecular weight of 235.60 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl pentanoate;zinc is sourced from PubChem (CID 174879847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).