octadecyl 2-hydroxypropanoate;zinc

C21H42O3Zn — CID 174699116

IUPACoctadecyl 2-hydroxypropanoate;zinc
SMILESCCCCCCCCCCCCCCCCCCOC(=O)C(C)O.[Zn]
InChIInChI=1S/C21H42O3.Zn/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(23)20(2)22;/h20,22H,3-19H2,1-2H3;
InChIKeyMQQPGXSFONOWDP-UHFFFAOYSA-N
MW407.95 g/mol
LogP6.17
Rot. Bonds18

About octadecyl 2-hydroxypropanoate;zinc

octadecyl 2-hydroxypropanoate;zinc (PubChem CID 174699116) has the molecular formula C21H42O3Zn and a molecular weight of 407.95 g/mol. Its IUPAC name is octadecyl 2-hydroxypropanoate;zinc.

Molecular Properties

Compound Nameoctadecyl 2-hydroxypropanoate;zinc
PubChem CID174699116
Molecular FormulaC21H42O3Zn
Molecular Weight407.95 g/mol
Exact Mass406.24
IUPAC Nameoctadecyl 2-hydroxypropanoate;zinc
SMILESCCCCCCCCCCCCCCCCCCOC(=O)C(C)O.[Zn]
InChIInChI=1S/C21H42O3.Zn/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(23)20(2)22;/h20,22H,3-19H2,1-2H3;
InChIKeyMQQPGXSFONOWDP-UHFFFAOYSA-N
XLogP6.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.95
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

lithium;hexadecyl 2-hydroxypropanoate;hydride
CID 174573457
tetradecyl 2-hydroxypropanoate;tetradecyl tetradecanoate
CID 89266925
2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate
CID 122514665
2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate
CID 56949346
hexyl 2-hydroxypropanoate;2-hydroxy-2-methyloctanoic acid
CID 175941066
didodecyl (2S,3S)-2,3-dihydroxybutanedioate
CID 95239962
dihexyl 2,3-dihydroxybutanedioate
CID 13021195
dodecyl 2-methyltetradecanoate
CID 88541423
dodecyl 2-methylhexanoate
CID 20682052
hexyl 2-methyldodecanoate
CID 174392697
decyl 2-methylhexanoate
CID 86220664
heptyl 2-aminopropanoate
CID 14657662

Frequently Asked Questions

What is the IUPAC name of octadecyl 2-hydroxypropanoate;zinc?
The IUPAC name of octadecyl 2-hydroxypropanoate;zinc (CID 174699116) is octadecyl 2-hydroxypropanoate;zinc.
What is the SMILES notation for octadecyl 2-hydroxypropanoate;zinc?
The canonical SMILES for octadecyl 2-hydroxypropanoate;zinc is CCCCCCCCCCCCCCCCCCOC(=O)C(C)O.[Zn].
What is the InChIKey of octadecyl 2-hydroxypropanoate;zinc?
The InChIKey is MQQPGXSFONOWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O3.Zn/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(23)20(2)22;/h20,22H,3-19H2,1-2H3;.
What are the key properties of octadecyl 2-hydroxypropanoate;zinc?
octadecyl 2-hydroxypropanoate;zinc has a molecular weight of 407.95 g/mol, XLogP of 6.17, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octadecyl 2-hydroxypropanoate;zinc is sourced from PubChem (CID 174699116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).