antimony(3+);decanoate;bis(6-methylheptanoate)

C26H49O6Sb — CID 20517200

IUPACantimony(3+);decanoate;bis(6-methylheptanoate)
SMILESCC(C)CCCCC(=O)[O-].CC(C)CCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Sb+3]
InChIInChI=1S/C10H20O2.2C8H16O2.Sb/c1-2-3-4-5-6-7-8-9-10(11)12;2*1-7(2)5-3-4-6-8(9)10;/h2-9H2,1H3,(H,11,12);2*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3
InChIKeyWNAJQUGQRJRBGC-UHFFFAOYSA-K
MW579.43 g/mol
LogP3.40
Rot. Bonds18

About antimony(3+);decanoate;bis(6-methylheptanoate)

antimony(3+);decanoate;bis(6-methylheptanoate) (PubChem CID 20517200) has the molecular formula C26H49O6Sb and a molecular weight of 579.43 g/mol. Its IUPAC name is antimony(3+);decanoate;bis(6-methylheptanoate).

Molecular Properties

Compound Nameantimony(3+);decanoate;bis(6-methylheptanoate)
PubChem CID20517200
Molecular FormulaC26H49O6Sb
Molecular Weight579.43 g/mol
Exact Mass578.26
IUPAC Nameantimony(3+);decanoate;bis(6-methylheptanoate)
SMILESCC(C)CCCCC(=O)[O-].CC(C)CCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Sb+3]
InChIInChI=1S/C10H20O2.2C8H16O2.Sb/c1-2-3-4-5-6-7-8-9-10(11)12;2*1-7(2)5-3-4-6-8(9)10;/h2-9H2,1H3,(H,11,12);2*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3
InChIKeyWNAJQUGQRJRBGC-UHFFFAOYSA-K
XLogP3.40
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.43
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

mercury(1+);6-methylheptanoate
CID 175025687
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CID 57346765
sodium 13-methyltetradecanoate
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calcium bis(16-methylheptadecanoate)
CID 6453880
tris(6-methylheptanoate);terbium(3+)
CID 175061376
6-methylheptanoate;rubidium(1+)
CID 88757744
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CID 157367656
bis(octadecanoate);platinum(2+)
CID 87233709
CID 23623890
CID 23623890
octadecanoate
CID 3033836
aluminum;bis(2-methylpropan-1-olate);octadecanoate
CID 102269418

Frequently Asked Questions

What is the IUPAC name of antimony(3+);decanoate;bis(6-methylheptanoate)?
The IUPAC name of antimony(3+);decanoate;bis(6-methylheptanoate) (CID 20517200) is antimony(3+);decanoate;bis(6-methylheptanoate).
What is the SMILES notation for antimony(3+);decanoate;bis(6-methylheptanoate)?
The canonical SMILES for antimony(3+);decanoate;bis(6-methylheptanoate) is CC(C)CCCCC(=O)[O-].CC(C)CCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Sb+3].
What is the InChIKey of antimony(3+);decanoate;bis(6-methylheptanoate)?
The InChIKey is WNAJQUGQRJRBGC-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H20O2.2C8H16O2.Sb/c1-2-3-4-5-6-7-8-9-10(11)12;2*1-7(2)5-3-4-6-8(9)10;/h2-9H2,1H3,(H,11,12);2*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3.
What are the key properties of antimony(3+);decanoate;bis(6-methylheptanoate)?
antimony(3+);decanoate;bis(6-methylheptanoate) has a molecular weight of 579.43 g/mol, XLogP of 3.40, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for antimony(3+);decanoate;bis(6-methylheptanoate) is sourced from PubChem (CID 20517200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).