2-methylprop-2-enoyl dodecanoate;zinc

C16H28O3Zn — CID 175007259

IUPAC2-methylprop-2-enoyl dodecanoate;zinc
SMILESC=C(C)C(=O)OC(=O)CCCCCCCCCCC.[Zn]
InChIInChI=1S/C16H28O3.Zn/c1-4-5-6-7-8-9-10-11-12-13-15(17)19-16(18)14(2)3;/h2,4-13H2,1,3H3;
InChIKeyYVEDUVALWNWDIZ-UHFFFAOYSA-N
MW333.79 g/mol
LogP4.55
Rot. Bonds11

About 2-methylprop-2-enoyl dodecanoate;zinc

2-methylprop-2-enoyl dodecanoate;zinc (PubChem CID 175007259) has the molecular formula C16H28O3Zn and a molecular weight of 333.79 g/mol. Its IUPAC name is 2-methylprop-2-enoyl dodecanoate;zinc.

Molecular Properties

Compound Name2-methylprop-2-enoyl dodecanoate;zinc
PubChem CID175007259
Molecular FormulaC16H28O3Zn
Molecular Weight333.79 g/mol
Exact Mass332.13
IUPAC Name2-methylprop-2-enoyl dodecanoate;zinc
SMILESC=C(C)C(=O)OC(=O)CCCCCCCCCCC.[Zn]
InChIInChI=1S/C16H28O3.Zn/c1-4-5-6-7-8-9-10-11-12-13-15(17)19-16(18)14(2)3;/h2,4-13H2,1,3H3;
InChIKeyYVEDUVALWNWDIZ-UHFFFAOYSA-N
XLogP4.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 pentanoate;zinc
CID 174879847
2-methylidenebutanoyl hexanoate
CID 170553274
2-methylprop-2-enoyl butanoate
CID 19018301
1-tetradecanoyloxyethenyl tetradecanoate
CID 141442366
2-methylprop-2-enoyl butanoate;zirconium
CID 87105460
alumane;tetradecanoyl tetradecanoate;zinc
CID 173056587
ditetradecanoyl hexanedioate
CID 175560209
pentadecanoyl hexadecanoate
CID 87499774
henicosanoyl docosanoate
CID 175302110
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyl dodecanoate;zinc?
The IUPAC name of 2-methylprop-2-enoyl dodecanoate;zinc (CID 175007259) is 2-methylprop-2-enoyl dodecanoate;zinc.
What is the SMILES notation for 2-methylprop-2-enoyl dodecanoate;zinc?
The canonical SMILES for 2-methylprop-2-enoyl dodecanoate;zinc is C=C(C)C(=O)OC(=O)CCCCCCCCCCC.[Zn].
What is the InChIKey of 2-methylprop-2-enoyl dodecanoate;zinc?
The InChIKey is YVEDUVALWNWDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3.Zn/c1-4-5-6-7-8-9-10-11-12-13-15(17)19-16(18)14(2)3;/h2,4-13H2,1,3H3;.
What are the key properties of 2-methylprop-2-enoyl dodecanoate;zinc?
2-methylprop-2-enoyl dodecanoate;zinc has a molecular weight of 333.79 g/mol, XLogP of 4.55, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl dodecanoate;zinc is sourced from PubChem (CID 175007259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).