alumane;tetradecanoyl tetradecanoate;zinc

C28H57AlO3Zn — CID 173056587

IUPACalumane;tetradecanoyl tetradecanoate;zinc
SMILESCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCC.[AlH3].[Zn]
InChIInChI=1S/C28H54O3.Al.Zn.3H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(29)31-28(30)26-24-22-20-18-16-14-12-10-8-6-4-2;;;;;/h3-26H2,1-2H3;;;;;
InChIKeyFVXYXRYLYSMYKC-UHFFFAOYSA-N
MW534.13 g/mol
LogP8.27
Rot. Bonds24

About alumane;tetradecanoyl tetradecanoate;zinc

alumane;tetradecanoyl tetradecanoate;zinc (PubChem CID 173056587) has the molecular formula C28H57AlO3Zn and a molecular weight of 534.13 g/mol. Its IUPAC name is alumane;tetradecanoyl tetradecanoate;zinc.

Molecular Properties

Compound Namealumane;tetradecanoyl tetradecanoate;zinc
PubChem CID173056587
Molecular FormulaC28H57AlO3Zn
Molecular Weight534.13 g/mol
Exact Mass532.34
IUPAC Namealumane;tetradecanoyl tetradecanoate;zinc
SMILESCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCC.[AlH3].[Zn]
InChIInChI=1S/C28H54O3.Al.Zn.3H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(29)31-28(30)26-24-22-20-18-16-14-12-10-8-6-4-2;;;;;/h3-26H2,1-2H3;;;;;
InChIKeyFVXYXRYLYSMYKC-UHFFFAOYSA-N
XLogP8.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.13
LogP ≤ 58.27
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'}

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Related Compounds

henicosanoyl docosanoate
CID 175302110
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
ethane;octadecanoyl octadecanoate
CID 174636018
dodecanoyl dodecanoate;sulfane
CID 174888621
dodecanoyl dodecanoate;ethanol
CID 157135932
barium(2+);hydride;tetradecanoyl octadecanoate
CID 173487344
lithium;hydride;octadecanoyl octadecanoate
CID 173213572
sodium;hydride;octanoyl octadecanoate
CID 173299765
dimagnesium;hydride;octanoyl nonanoate
CID 173350216

Frequently Asked Questions

What is the IUPAC name of alumane;tetradecanoyl tetradecanoate;zinc?
The IUPAC name of alumane;tetradecanoyl tetradecanoate;zinc (CID 173056587) is alumane;tetradecanoyl tetradecanoate;zinc.
What is the SMILES notation for alumane;tetradecanoyl tetradecanoate;zinc?
The canonical SMILES for alumane;tetradecanoyl tetradecanoate;zinc is CCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCC.[AlH3].[Zn].
What is the InChIKey of alumane;tetradecanoyl tetradecanoate;zinc?
The InChIKey is FVXYXRYLYSMYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O3.Al.Zn.3H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(29)31-28(30)26-24-22-20-18-16-14-12-10-8-6-4-2;;;;;/h3-26H2,1-2H3;;;;;.
What are the key properties of alumane;tetradecanoyl tetradecanoate;zinc?
alumane;tetradecanoyl tetradecanoate;zinc has a molecular weight of 534.13 g/mol, XLogP of 8.27, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;tetradecanoyl tetradecanoate;zinc is sourced from PubChem (CID 173056587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).