tris(hexadecanoate);holmium(3+)

C48H93HoO6 — CID 175176417

IUPACtris(hexadecanoate);holmium(3+)
SMILESCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Ho+3]
InChIInChI=1S/3C16H32O2.Ho/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h3*2-15H2,1H3,(H,17,18);/q;;;+3/p-3
InChIKeyGFCJEWLJPUUADB-UHFFFAOYSA-K
MW931.20 g/mol
LogP12.65
Rot. Bonds42

About tris(hexadecanoate);holmium(3+)

tris(hexadecanoate);holmium(3+) (PubChem CID 175176417) has the molecular formula C48H93HoO6 and a molecular weight of 931.20 g/mol. Its IUPAC name is tris(hexadecanoate);holmium(3+).

Molecular Properties

Compound Nametris(hexadecanoate);holmium(3+)
PubChem CID175176417
Molecular FormulaC48H93HoO6
Molecular Weight931.20 g/mol
Exact Mass930.63
IUPAC Nametris(hexadecanoate);holmium(3+)
SMILESCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Ho+3]
InChIInChI=1S/3C16H32O2.Ho/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h3*2-15H2,1H3,(H,17,18);/q;;;+3/p-3
InChIKeyGFCJEWLJPUUADB-UHFFFAOYSA-K
XLogP12.65
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds42
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.20
LogP ≤ 512.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 23623890
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manganese(2+);bis(tricosanoate)
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Frequently Asked Questions

What is the IUPAC name of tris(hexadecanoate);holmium(3+)?
The IUPAC name of tris(hexadecanoate);holmium(3+) (CID 175176417) is tris(hexadecanoate);holmium(3+).
What is the SMILES notation for tris(hexadecanoate);holmium(3+)?
The canonical SMILES for tris(hexadecanoate);holmium(3+) is CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Ho+3].
What is the InChIKey of tris(hexadecanoate);holmium(3+)?
The InChIKey is GFCJEWLJPUUADB-UHFFFAOYSA-K. The full InChI is InChI=1S/3C16H32O2.Ho/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h3*2-15H2,1H3,(H,17,18);/q;;;+3/p-3.
What are the key properties of tris(hexadecanoate);holmium(3+)?
tris(hexadecanoate);holmium(3+) has a molecular weight of 931.20 g/mol, XLogP of 12.65, 42 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(hexadecanoate);holmium(3+) is sourced from PubChem (CID 175176417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).