2,3-dihydroxypropyl octadecanoate;zinc

C21H42O4Zn — CID 87251976

IUPAC2,3-dihydroxypropyl octadecanoate;zinc
SMILESCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO.[Zn]
InChIInChI=1S/C21H42O4.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22;/h20,22-23H,2-19H2,1H3;
InChIKeyTZWASLKHMJHFHI-UHFFFAOYSA-N
MW423.95 g/mol
LogP5.14
Rot. Bonds19

About 2,3-dihydroxypropyl octadecanoate;zinc

2,3-dihydroxypropyl octadecanoate;zinc (PubChem CID 87251976) has the molecular formula C21H42O4Zn and a molecular weight of 423.95 g/mol. Its IUPAC name is 2,3-dihydroxypropyl octadecanoate;zinc.

Molecular Properties

Compound Name2,3-dihydroxypropyl octadecanoate;zinc
PubChem CID87251976
Molecular FormulaC21H42O4Zn
Molecular Weight423.95 g/mol
Exact Mass422.24
IUPAC Name2,3-dihydroxypropyl octadecanoate;zinc
SMILESCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO.[Zn]
InChIInChI=1S/C21H42O4.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22;/h20,22-23H,2-19H2,1H3;
InChIKeyTZWASLKHMJHFHI-UHFFFAOYSA-N
XLogP5.14
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.95
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxypropyl tetracosanoate
CID 14542801
2,3-dihydroxypropyl octadecanoate
CID 159321215
[(2S)-2,3-dihydroxypropyl] nonanoate
CID 70789772
2,3-dihydroxypropyl hexadecanoate;2,3-dihydroxypropyl octadecanoate
CID 24698
[(2R)-2,3-dihydroxypropyl] octanoate;ethane
CID 71627387
2,3-dihydroxypropyl dodecanoate;ethanol
CID 158629488
2,3-dihydroxypropyl octadecanoate;polane
CID 173093514
2,3-dihydroxypropyl octanoate;ethane-1,2-diol
CID 175177364
2,3-dihydroxypropyl octadecanoate;ethane-1,2-diol
CID 87139616
decanoic acid;2,3-dihydroxypropyl hexanoate;octanoic acid
CID 87710407
2,3-dihydroxypropyl tetradecanoate;bis(dodecanoic acid)
CID 159816438
[2-(2,3-dihydroxypropoxy)-2-oxoethyl] octadecanoate
CID 87346597

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl octadecanoate;zinc?
The IUPAC name of 2,3-dihydroxypropyl octadecanoate;zinc (CID 87251976) is 2,3-dihydroxypropyl octadecanoate;zinc.
What is the SMILES notation for 2,3-dihydroxypropyl octadecanoate;zinc?
The canonical SMILES for 2,3-dihydroxypropyl octadecanoate;zinc is CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO.[Zn].
What is the InChIKey of 2,3-dihydroxypropyl octadecanoate;zinc?
The InChIKey is TZWASLKHMJHFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O4.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22;/h20,22-23H,2-19H2,1H3;.
What are the key properties of 2,3-dihydroxypropyl octadecanoate;zinc?
2,3-dihydroxypropyl octadecanoate;zinc has a molecular weight of 423.95 g/mol, XLogP of 5.14, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl octadecanoate;zinc is sourced from PubChem (CID 87251976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).