tris(2-methylpropyl) stiborite

C12H27O3Sb — CID 16709013

IUPACtris(2-methylpropyl) stiborite
SMILESCC(C)CO[Sb](OCC(C)C)OCC(C)C
InChIInChI=1S/3C4H9O.Sb/c3*1-4(2)3-5;/h3*4H,3H2,1-2H3;/q3*-1;+3
InChIKeyMOOXOWAGPRNWEG-UHFFFAOYSA-N
MW341.11 g/mol
LogP2.99
Rot. Bonds9

About tris(2-methylpropyl) stiborite

tris(2-methylpropyl) stiborite (PubChem CID 16709013) has the molecular formula C12H27O3Sb and a molecular weight of 341.11 g/mol. Its IUPAC name is tris(2-methylpropyl) stiborite.

Molecular Properties

Compound Nametris(2-methylpropyl) stiborite
PubChem CID16709013
Molecular FormulaC12H27O3Sb
Molecular Weight341.11 g/mol
Exact Mass340.10
IUPAC Nametris(2-methylpropyl) stiborite
SMILESCC(C)CO[Sb](OCC(C)C)OCC(C)C
InChIInChI=1S/3C4H9O.Sb/c3*1-4(2)3-5;/h3*4H,3H2,1-2H3;/q3*-1;+3
InChIKeyMOOXOWAGPRNWEG-UHFFFAOYSA-N
XLogP2.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.11
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropyl) stiborite?
The IUPAC name of tris(2-methylpropyl) stiborite (CID 16709013) is tris(2-methylpropyl) stiborite.
What is the SMILES notation for tris(2-methylpropyl) stiborite?
The canonical SMILES for tris(2-methylpropyl) stiborite is CC(C)CO[Sb](OCC(C)C)OCC(C)C.
What is the InChIKey of tris(2-methylpropyl) stiborite?
The InChIKey is MOOXOWAGPRNWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.Sb/c3*1-4(2)3-5;/h3*4H,3H2,1-2H3;/q3*-1;+3.
What are the key properties of tris(2-methylpropyl) stiborite?
tris(2-methylpropyl) stiborite has a molecular weight of 341.11 g/mol, XLogP of 2.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpropyl) stiborite is sourced from PubChem (CID 16709013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).