diethylalumanylium;undec-10-enoate

C15H29AlO2 — CID 21401828

IUPACdiethylalumanylium;undec-10-enoate
SMILESC=CCCCCCCCCC(=O)[O-].CC[Al+]CC
InChIInChI=1S/C11H20O2.2C2H5.Al/c1-2-3-4-5-6-7-8-9-10-11(12)13;2*1-2;/h2H,1,3-10H2,(H,12,13);2*1H2,2H3;/q;;;+1/p-1
InChIKeyODPCEMIKPKAYHJ-UHFFFAOYSA-M
MW268.38 g/mol
LogP3.61
Rot. Bonds11

About diethylalumanylium;undec-10-enoate

diethylalumanylium;undec-10-enoate (PubChem CID 21401828) has the molecular formula C15H29AlO2 and a molecular weight of 268.38 g/mol. Its IUPAC name is diethylalumanylium;undec-10-enoate.

Molecular Properties

Compound Namediethylalumanylium;undec-10-enoate
PubChem CID21401828
Molecular FormulaC15H29AlO2
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Namediethylalumanylium;undec-10-enoate
SMILESC=CCCCCCCCCC(=O)[O-].CC[Al+]CC
InChIInChI=1S/C11H20O2.2C2H5.Al/c1-2-3-4-5-6-7-8-9-10-11(12)13;2*1-2;/h2H,1,3-10H2,(H,12,13);2*1H2,2H3;/q;;;+1/p-1
InChIKeyODPCEMIKPKAYHJ-UHFFFAOYSA-M
XLogP3.61
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze diethylalumanylium;undec-10-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cobalt;undec-10-enoate
CID 160733678
iron(2+);bis(undec-10-enoate)
CID 89315244
calcium undec-10-enoate
CID 23617473
lithium dec-9-enoate
CID 23716774
indium(3+);octadec-1-ene;tris(tetradecanoate)
CID 175277283
diethylalumanylium;octadecanoate
CID 22480669
cobalt(2+);diethylalumanylium;tris(octanoate)
CID 173233481
lanthanum(3+);tris((Z)-tetradec-9-enoate)
CID 158310142
5-[bis(4-carboxybutyl)-tetracos-23-enylazaniumyl]pentanoate
CID 177410740
CID 101282633
CID 101282633
hexakis((Z)-octadec-9-enoate);uranium
CID 173422763
(Z)-tetradec-9-enoate
CID 5461014

Frequently Asked Questions

What is the IUPAC name of diethylalumanylium;undec-10-enoate?
The IUPAC name of diethylalumanylium;undec-10-enoate (CID 21401828) is diethylalumanylium;undec-10-enoate.
What is the SMILES notation for diethylalumanylium;undec-10-enoate?
The canonical SMILES for diethylalumanylium;undec-10-enoate is C=CCCCCCCCCC(=O)[O-].CC[Al+]CC.
What is the InChIKey of diethylalumanylium;undec-10-enoate?
The InChIKey is ODPCEMIKPKAYHJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H20O2.2C2H5.Al/c1-2-3-4-5-6-7-8-9-10-11(12)13;2*1-2;/h2H,1,3-10H2,(H,12,13);2*1H2,2H3;/q;;;+1/p-1.
What are the key properties of diethylalumanylium;undec-10-enoate?
diethylalumanylium;undec-10-enoate has a molecular weight of 268.38 g/mol, XLogP of 3.61, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethylalumanylium;undec-10-enoate is sourced from PubChem (CID 21401828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).