2-methylprop-2-enoyl decanoate;zinc

C14H24O3Zn — CID 174880295

IUPAC2-methylprop-2-enoyl decanoate;zinc
SMILESC=C(C)C(=O)OC(=O)CCCCCCCCC.[Zn]
InChIInChI=1S/C14H24O3.Zn/c1-4-5-6-7-8-9-10-11-13(15)17-14(16)12(2)3;/h2,4-11H2,1,3H3;
InChIKeyZSPIFHDKVUPSSX-UHFFFAOYSA-N
MW305.73 g/mol
LogP3.77
Rot. Bonds9

About 2-methylprop-2-enoyl decanoate;zinc

2-methylprop-2-enoyl decanoate;zinc (PubChem CID 174880295) has the molecular formula C14H24O3Zn and a molecular weight of 305.73 g/mol. Its IUPAC name is 2-methylprop-2-enoyl decanoate;zinc.

Molecular Properties

Compound Name2-methylprop-2-enoyl decanoate;zinc
PubChem CID174880295
Molecular FormulaC14H24O3Zn
Molecular Weight305.73 g/mol
Exact Mass304.10
IUPAC Name2-methylprop-2-enoyl decanoate;zinc
SMILESC=C(C)C(=O)OC(=O)CCCCCCCCC.[Zn]
InChIInChI=1S/C14H24O3.Zn/c1-4-5-6-7-8-9-10-11-13(15)17-14(16)12(2)3;/h2,4-11H2,1,3H3;
InChIKeyZSPIFHDKVUPSSX-UHFFFAOYSA-N
XLogP3.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 53.77
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'}

Analyze 2-methylprop-2-enoyl decanoate;zinc 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-methylprop-2-enoyl dodecanoate;zinc
CID 175007259
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
henicosanoyl docosanoate
CID 175302110
pentadecanoyl hexadecanoate
CID 87499774
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyl decanoate;zinc?
The IUPAC name of 2-methylprop-2-enoyl decanoate;zinc (CID 174880295) is 2-methylprop-2-enoyl decanoate;zinc.
What is the SMILES notation for 2-methylprop-2-enoyl decanoate;zinc?
The canonical SMILES for 2-methylprop-2-enoyl decanoate;zinc is C=C(C)C(=O)OC(=O)CCCCCCCCC.[Zn].
What is the InChIKey of 2-methylprop-2-enoyl decanoate;zinc?
The InChIKey is ZSPIFHDKVUPSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3.Zn/c1-4-5-6-7-8-9-10-11-13(15)17-14(16)12(2)3;/h2,4-11H2,1,3H3;.
What are the key properties of 2-methylprop-2-enoyl decanoate;zinc?
2-methylprop-2-enoyl decanoate;zinc has a molecular weight of 305.73 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl decanoate;zinc is sourced from PubChem (CID 174880295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).