oxoalumanyl dodecanoate

C12H23AlO3 — CID 56843778

IUPACoxoalumanyl dodecanoate
SMILESCCCCCCCCCCCC(=O)O[Al]=O
InChIInChI=1S/C12H24O2.Al.O/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;;/h2-11H2,1H3,(H,13,14);;/q;+1;/p-1
InChIKeyHBACBKXBEIGYME-UHFFFAOYSA-M
MW242.29 g/mol
LogP3.42
Rot. Bonds11

About oxoalumanyl dodecanoate

oxoalumanyl dodecanoate (PubChem CID 56843778) has the molecular formula C12H23AlO3 and a molecular weight of 242.29 g/mol. Its IUPAC name is oxoalumanyl dodecanoate.

Molecular Properties

Compound Nameoxoalumanyl dodecanoate
PubChem CID56843778
Molecular FormulaC12H23AlO3
Molecular Weight242.29 g/mol
Exact Mass242.15
IUPAC Nameoxoalumanyl dodecanoate
SMILESCCCCCCCCCCCC(=O)O[Al]=O
InChIInChI=1S/C12H24O2.Al.O/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;;/h2-11H2,1H3,(H,13,14);;/q;+1;/p-1
InChIKeyHBACBKXBEIGYME-UHFFFAOYSA-M
XLogP3.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Aluminum Distearate
CID 16682938
octanoyl tridecaneperoxoate
CID 141014591
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
henicosanoyl docosanoate
CID 175302110
heptadecanoyl heptadecaneperoxoate
CID 53438513
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
heptanoyl octaneperoxoate
CID 142686679
ethane;octadecanoyl octadecanoate
CID 174636018
methyl heptanoate
CID 7826
methyl octadecanoate;methyl octanoate
CID 157178883

Frequently Asked Questions

What is the IUPAC name of oxoalumanyl dodecanoate?
The IUPAC name of oxoalumanyl dodecanoate (CID 56843778) is oxoalumanyl dodecanoate.
What is the SMILES notation for oxoalumanyl dodecanoate?
The canonical SMILES for oxoalumanyl dodecanoate is CCCCCCCCCCCC(=O)O[Al]=O.
What is the InChIKey of oxoalumanyl dodecanoate?
The InChIKey is HBACBKXBEIGYME-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H24O2.Al.O/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;;/h2-11H2,1H3,(H,13,14);;/q;+1;/p-1.
What are the key properties of oxoalumanyl dodecanoate?
oxoalumanyl dodecanoate has a molecular weight of 242.29 g/mol, XLogP of 3.42, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxoalumanyl dodecanoate is sourced from PubChem (CID 56843778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).