4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-5-[2-[4,5,5-trimethyl-2-(2-methylpropoxy)-1,3,2-dioxaborolan-4-yl]ethyl]-1,3,2-dioxaborolane

C20H40B2O6 — CID 174086982

IUPAC4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-5-[2-[4,5,5-trimethyl-2-(2-methylpropoxy)-1,3,2-dioxaborolan-4-yl]ethyl]-1,3,2-dioxaborolane
SMILESCC(C)COB1OC(C)(C)C(C)(CCC2(C)OB(OC(C)(C)C)OC2(C)C)O1
InChIInChI=1S/C20H40B2O6/c1-15(2)14-23-21-25-17(6,7)19(10,27-21)12-13-20(11)18(8,9)26-22(28-20)24-16(3,4)5/h15H,12-14H2,1-11H3
InChIKeyNPNXLOZRFJHWHZ-UHFFFAOYSA-N
MW398.16 g/mol
LogP4.39
Rot. Bonds7

About 4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-5-[2-[4,5,5-trimethyl-2-(2-methylpropoxy)-1,3,2-dioxaborolan-4-yl]ethyl]-1,3,2-dioxaborolane

4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-5-[2-[4,5,5-trimethyl-2-(2-methylpropoxy)-1,3,2-dioxaborolan-4-yl]ethyl]-1,3,2-dioxaborolane (PubChem CID 174086982) has the molecular formula C20H40B2O6 and a molecular weight of 398.16 g/mol. Its IUPAC name is 4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-5-[2-[4,5,5-trimethyl-2-(2-methylpropoxy)-1,3,2-dioxaborolan-4-yl]ethyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-5-[2-[4,5,5-trimethyl-2-(2-methylpropoxy)-1,3,2-dioxaborolan-4-yl]ethyl]-1,3,2-dioxaborolane
PubChem CID174086982
Molecular FormulaC20H40B2O6
Molecular Weight398.16 g/mol
Exact Mass398.30
IUPAC Name4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-5-[2-[4,5,5-trimethyl-2-(2-methylpropoxy)-1,3,2-dioxaborolan-4-yl]ethyl]-1,3,2-dioxaborolane
SMILESCC(C)COB1OC(C)(C)C(C)(CCC2(C)OB(OC(C)(C)C)OC2(C)C)O1
InChIInChI=1S/C20H40B2O6/c1-15(2)14-23-21-25-17(6,7)19(10,27-21)12-13-20(11)18(8,9)26-22(28-20)24-16(3,4)5/h15H,12-14H2,1-11H3
InChIKeyNPNXLOZRFJHWHZ-UHFFFAOYSA-N
XLogP4.39
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.16
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-5-[2-[4,5,5-trimethyl-2-(2-methylpropoxy)-1,3,2-dioxaborolan-4-yl]ethyl]-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-5-[2-[4,5,5-trimethyl-2-(2-methylpropoxy)-1,3,2-dioxaborolan-4-yl]ethyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-5-[2-[4,5,5-trimethyl-2-(2-methylpropoxy)-1,3,2-dioxaborolan-4-yl]ethyl]-1,3,2-dioxaborolane (CID 174086982) is 4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-5-[2-[4,5,5-trimethyl-2-(2-methylpropoxy)-1,3,2-dioxaborolan-4-yl]ethyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-5-[2-[4,5,5-trimethyl-2-(2-methylpropoxy)-1,3,2-dioxaborolan-4-yl]ethyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-5-[2-[4,5,5-trimethyl-2-(2-methylpropoxy)-1,3,2-dioxaborolan-4-yl]ethyl]-1,3,2-dioxaborolane is CC(C)COB1OC(C)(C)C(C)(CCC2(C)OB(OC(C)(C)C)OC2(C)C)O1.
What is the InChIKey of 4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-5-[2-[4,5,5-trimethyl-2-(2-methylpropoxy)-1,3,2-dioxaborolan-4-yl]ethyl]-1,3,2-dioxaborolane?
The InChIKey is NPNXLOZRFJHWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40B2O6/c1-15(2)14-23-21-25-17(6,7)19(10,27-21)12-13-20(11)18(8,9)26-22(28-20)24-16(3,4)5/h15H,12-14H2,1-11H3.
What are the key properties of 4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-5-[2-[4,5,5-trimethyl-2-(2-methylpropoxy)-1,3,2-dioxaborolan-4-yl]ethyl]-1,3,2-dioxaborolane?
4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-5-[2-[4,5,5-trimethyl-2-(2-methylpropoxy)-1,3,2-dioxaborolan-4-yl]ethyl]-1,3,2-dioxaborolane has a molecular weight of 398.16 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-5-[2-[4,5,5-trimethyl-2-(2-methylpropoxy)-1,3,2-dioxaborolan-4-yl]ethyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 174086982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).