2-hydroxypropanoyl dodecanoate;zinc

C15H28O4Zn — CID 174374656

IUPAC2-hydroxypropanoyl dodecanoate;zinc
SMILESCCCCCCCCCCCC(=O)OC(=O)C(C)O.[Zn]
InChIInChI=1S/C15H28O4.Zn/c1-3-4-5-6-7-8-9-10-11-12-14(17)19-15(18)13(2)16;/h13,16H,3-12H2,1-2H3;
InChIKeyMLJMXLOEMCUFFS-UHFFFAOYSA-N
MW337.78 g/mol
LogP3.36
Rot. Bonds11

About 2-hydroxypropanoyl dodecanoate;zinc

2-hydroxypropanoyl dodecanoate;zinc (PubChem CID 174374656) has the molecular formula C15H28O4Zn and a molecular weight of 337.78 g/mol. Its IUPAC name is 2-hydroxypropanoyl dodecanoate;zinc.

Molecular Properties

Compound Name2-hydroxypropanoyl dodecanoate;zinc
PubChem CID174374656
Molecular FormulaC15H28O4Zn
Molecular Weight337.78 g/mol
Exact Mass336.13
IUPAC Name2-hydroxypropanoyl dodecanoate;zinc
SMILESCCCCCCCCCCCC(=O)OC(=O)C(C)O.[Zn]
InChIInChI=1S/C15H28O4.Zn/c1-3-4-5-6-7-8-9-10-11-12-14(17)19-15(18)13(2)16;/h13,16H,3-12H2,1-2H3;
InChIKeyMLJMXLOEMCUFFS-UHFFFAOYSA-N
XLogP3.36
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-hydroxypropanoyl octadecanoate;hydrate
CID 172849458
CID 172741871
CID 172741871
CID 87243127
CID 87243127
CID 172853270
CID 172853270
sodium;hydride;2-hydroxypropanoyl hexanoate
CID 173099387
2-(2-hydroxypropanoyloxy)propanoyl octanoate
CID 54223275
calcium;hydride;2-hydroxypropanoyl (Z)-octadec-9-enoate
CID 174485858
[(2S)-2-aminopropanoyl] undecanoate
CID 90134834
CID 175702847
CID 175702847
2,3-dihydroxypropanoyl icosanoate
CID 89407188
2,3-dihydroxypropanoyl octanoate
CID 21150881
cesium 1-octadecanoyloxy-1-oxopropan-2-olate
CID 23662803

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoyl dodecanoate;zinc?
The IUPAC name of 2-hydroxypropanoyl dodecanoate;zinc (CID 174374656) is 2-hydroxypropanoyl dodecanoate;zinc.
What is the SMILES notation for 2-hydroxypropanoyl dodecanoate;zinc?
The canonical SMILES for 2-hydroxypropanoyl dodecanoate;zinc is CCCCCCCCCCCC(=O)OC(=O)C(C)O.[Zn].
What is the InChIKey of 2-hydroxypropanoyl dodecanoate;zinc?
The InChIKey is MLJMXLOEMCUFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4.Zn/c1-3-4-5-6-7-8-9-10-11-12-14(17)19-15(18)13(2)16;/h13,16H,3-12H2,1-2H3;.
What are the key properties of 2-hydroxypropanoyl dodecanoate;zinc?
2-hydroxypropanoyl dodecanoate;zinc has a molecular weight of 337.78 g/mol, XLogP of 3.36, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoyl dodecanoate;zinc is sourced from PubChem (CID 174374656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).