tributyl stiborite

C12H27O3Sb — CID 16693615

IUPACtributyl stiborite
SMILESCCCCO[Sb](OCCCC)OCCCC
InChIInChI=1S/3C4H9O.Sb/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3
InChIKeyYGBFTDQFAKDXBZ-UHFFFAOYSA-N
MW341.11 g/mol
LogP3.42
Rot. Bonds12

About tributyl stiborite

tributyl stiborite (PubChem CID 16693615) has the molecular formula C12H27O3Sb and a molecular weight of 341.11 g/mol. Its IUPAC name is tributyl stiborite.

Molecular Properties

Compound Nametributyl stiborite
PubChem CID16693615
Molecular FormulaC12H27O3Sb
Molecular Weight341.11 g/mol
Exact Mass340.10
IUPAC Nametributyl stiborite
SMILESCCCCO[Sb](OCCCC)OCCCC
InChIInChI=1S/3C4H9O.Sb/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3
InChIKeyYGBFTDQFAKDXBZ-UHFFFAOYSA-N
XLogP3.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.11
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl stiborite?
The IUPAC name of tributyl stiborite (CID 16693615) is tributyl stiborite.
What is the SMILES notation for tributyl stiborite?
The canonical SMILES for tributyl stiborite is CCCCO[Sb](OCCCC)OCCCC.
What is the InChIKey of tributyl stiborite?
The InChIKey is YGBFTDQFAKDXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.Sb/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3.
What are the key properties of tributyl stiborite?
tributyl stiborite has a molecular weight of 341.11 g/mol, XLogP of 3.42, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl stiborite is sourced from PubChem (CID 16693615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).