dodecanoate;indium(3+);dihydroxide

C12H25InO4 — CID 157264828

IUPACdodecanoate;indium(3+);dihydroxide
SMILESCCCCCCCCCCCC(=O)[O-].[In+3].[OH-].[OH-]
InChIInChI=1S/C12H24O2.In.2H2O/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;;;/h2-11H2,1H3,(H,13,14);;2*1H2/q;+3;;/p-3
InChIKeyAXWKUOMDKUYLDW-UHFFFAOYSA-K
MW348.15 g/mol
LogP1.92
Rot. Bonds10

About dodecanoate;indium(3+);dihydroxide

dodecanoate;indium(3+);dihydroxide (PubChem CID 157264828) has the molecular formula C12H25InO4 and a molecular weight of 348.15 g/mol. Its IUPAC name is dodecanoate;indium(3+);dihydroxide.

Molecular Properties

Compound Namedodecanoate;indium(3+);dihydroxide
PubChem CID157264828
Molecular FormulaC12H25InO4
Molecular Weight348.15 g/mol
Exact Mass348.08
IUPAC Namedodecanoate;indium(3+);dihydroxide
SMILESCCCCCCCCCCCC(=O)[O-].[In+3].[OH-].[OH-]
InChIInChI=1S/C12H24O2.In.2H2O/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;;;/h2-11H2,1H3,(H,13,14);;2*1H2/q;+3;;/p-3
InChIKeyAXWKUOMDKUYLDW-UHFFFAOYSA-K
XLogP1.92
TPSA100.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.15
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

indium(3+);tris(nonadecanoate)
CID 175734096
hexanoate;indium(3+);dihydroxide
CID 157267600
octadecanoate dihydroxide
CID 22409007
bis(chromium(3+));tetradecanoate;pentahydroxide
CID 138394583
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
calcium;hexadecanoate;octadecanoate
CID 22065418
manganese(2+);bis(tricosanoate)
CID 100951425
dimagnesium;octadecanoate
CID 19105820

Frequently Asked Questions

What is the IUPAC name of dodecanoate;indium(3+);dihydroxide?
The IUPAC name of dodecanoate;indium(3+);dihydroxide (CID 157264828) is dodecanoate;indium(3+);dihydroxide.
What is the SMILES notation for dodecanoate;indium(3+);dihydroxide?
The canonical SMILES for dodecanoate;indium(3+);dihydroxide is CCCCCCCCCCCC(=O)[O-].[In+3].[OH-].[OH-].
What is the InChIKey of dodecanoate;indium(3+);dihydroxide?
The InChIKey is AXWKUOMDKUYLDW-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H24O2.In.2H2O/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;;;/h2-11H2,1H3,(H,13,14);;2*1H2/q;+3;;/p-3.
What are the key properties of dodecanoate;indium(3+);dihydroxide?
dodecanoate;indium(3+);dihydroxide has a molecular weight of 348.15 g/mol, XLogP of 1.92, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanoate;indium(3+);dihydroxide is sourced from PubChem (CID 157264828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).