hexanoate;indium(3+);dihydroxide

C6H13InO4 — CID 157267600

IUPAChexanoate;indium(3+);dihydroxide
SMILESCCCCCC(=O)[O-].[In+3].[OH-].[OH-]
InChIInChI=1S/C6H12O2.In.2H2O/c1-2-3-4-5-6(7)8;;;/h2-5H2,1H3,(H,7,8);;2*1H2/q;+3;;/p-3
InChIKeyAYEFIFWFMFBMMF-UHFFFAOYSA-K
MW263.98 g/mol
LogP-0.42
Rot. Bonds4

About hexanoate;indium(3+);dihydroxide

hexanoate;indium(3+);dihydroxide (PubChem CID 157267600) has the molecular formula C6H13InO4 and a molecular weight of 263.98 g/mol. Its IUPAC name is hexanoate;indium(3+);dihydroxide.

Molecular Properties

Compound Namehexanoate;indium(3+);dihydroxide
PubChem CID157267600
Molecular FormulaC6H13InO4
Molecular Weight263.98 g/mol
Exact Mass263.99
IUPAC Namehexanoate;indium(3+);dihydroxide
SMILESCCCCCC(=O)[O-].[In+3].[OH-].[OH-]
InChIInChI=1S/C6H12O2.In.2H2O/c1-2-3-4-5-6(7)8;;;/h2-5H2,1H3,(H,7,8);;2*1H2/q;+3;;/p-3
InChIKeyAYEFIFWFMFBMMF-UHFFFAOYSA-K
XLogP-0.42
TPSA100.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.98
LogP ≤ 5-0.42
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

dodecanoate;indium(3+);dihydroxide
CID 157264828
indium(3+);tris(nonadecanoate)
CID 175734096
octadecanoate dihydroxide
CID 22409007
copper;barium(2+);hexakis(hexanoate);nickel(2+)
CID 173440852
bis(chromium(3+));tetradecanoate;pentahydroxide
CID 138394583
bis(octadecanoate);platinum(2+)
CID 87233709
CID 23623890
CID 23623890
octadecanoate
CID 3033836
calcium;hexadecanoate;octadecanoate
CID 22065418
manganese(2+);bis(tricosanoate)
CID 100951425
bis(undecanoate);zirconium(2+)
CID 18995554
dimagnesium;octadecanoate
CID 19105820

Frequently Asked Questions

What is the IUPAC name of hexanoate;indium(3+);dihydroxide?
The IUPAC name of hexanoate;indium(3+);dihydroxide (CID 157267600) is hexanoate;indium(3+);dihydroxide.
What is the SMILES notation for hexanoate;indium(3+);dihydroxide?
The canonical SMILES for hexanoate;indium(3+);dihydroxide is CCCCCC(=O)[O-].[In+3].[OH-].[OH-].
What is the InChIKey of hexanoate;indium(3+);dihydroxide?
The InChIKey is AYEFIFWFMFBMMF-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H12O2.In.2H2O/c1-2-3-4-5-6(7)8;;;/h2-5H2,1H3,(H,7,8);;2*1H2/q;+3;;/p-3.
What are the key properties of hexanoate;indium(3+);dihydroxide?
hexanoate;indium(3+);dihydroxide has a molecular weight of 263.98 g/mol, XLogP of -0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexanoate;indium(3+);dihydroxide is sourced from PubChem (CID 157267600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).