2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatriborinane

C9H21B3O6 — CID 4186943

IUPAC2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatriborinane
SMILESCC(C)OB1OB(OC(C)C)OB(OC(C)C)O1
InChIInChI=1S/C9H21B3O6/c1-7(2)13-10-16-11(14-8(3)4)18-12(17-10)15-9(5)6/h7-9H,1-6H3
InChIKeyIZEVWCPYYXBRCQ-UHFFFAOYSA-N
MW257.70 g/mol
LogP1.28
Rot. Bonds6

About 2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatriborinane

2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatriborinane (PubChem CID 4186943) has the molecular formula C9H21B3O6 and a molecular weight of 257.70 g/mol. Its IUPAC name is 2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatriborinane.

Molecular Properties

Compound Name2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatriborinane
PubChem CID4186943
Molecular FormulaC9H21B3O6
Molecular Weight257.70 g/mol
Exact Mass258.16
IUPAC Name2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatriborinane
SMILESCC(C)OB1OB(OC(C)C)OB(OC(C)C)O1
InChIInChI=1S/C9H21B3O6/c1-7(2)13-10-16-11(14-8(3)4)18-12(17-10)15-9(5)6/h7-9H,1-6H3
InChIKeyIZEVWCPYYXBRCQ-UHFFFAOYSA-N
XLogP1.28
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatriborinane?
The IUPAC name of 2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatriborinane (CID 4186943) is 2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatriborinane.
What is the SMILES notation for 2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatriborinane?
The canonical SMILES for 2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatriborinane is CC(C)OB1OB(OC(C)C)OB(OC(C)C)O1.
What is the InChIKey of 2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatriborinane?
The InChIKey is IZEVWCPYYXBRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21B3O6/c1-7(2)13-10-16-11(14-8(3)4)18-12(17-10)15-9(5)6/h7-9H,1-6H3.
What are the key properties of 2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatriborinane?
2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatriborinane has a molecular weight of 257.70 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatriborinane is sourced from PubChem (CID 4186943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).