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(2-methylpropan-2-yl)oxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane

C13H28B2O4 — CID 123517218

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2-methylpropan-2-yl)oxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
SMILESCC(C)OB(OC(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H28B2O4/c1-10(2)16-14(17-11(3,4)5)15-18-12(6,7)13(8,9)19-15/h10H,1-9H3
InChIKeyUGDSUZFGUWZIJZ-UHFFFAOYSA-N
MW269.99 g/mol
LogP2.89
Rot. Bonds4

About (2-methylpropan-2-yl)oxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane

(2-methylpropan-2-yl)oxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane (PubChem CID 123517218) has the molecular formula C13H28B2O4 and a molecular weight of 269.99 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
PubChem CID123517218
Molecular FormulaC13H28B2O4
Molecular Weight269.99 g/mol
Exact Mass270.22
IUPAC Name(2-methylpropan-2-yl)oxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
SMILESCC(C)OB(OC(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H28B2O4/c1-10(2)16-14(17-11(3,4)5)15-18-12(6,7)13(8,9)19-15/h10H,1-9H3
InChIKeyUGDSUZFGUWZIJZ-UHFFFAOYSA-N
XLogP2.89
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.99
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methylpropan-2-yl)oxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?
The IUPAC name of (2-methylpropan-2-yl)oxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane (CID 123517218) is (2-methylpropan-2-yl)oxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane.
What is the SMILES notation for (2-methylpropan-2-yl)oxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?
The canonical SMILES for (2-methylpropan-2-yl)oxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane is CC(C)OB(OC(C)(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (2-methylpropan-2-yl)oxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?
The InChIKey is UGDSUZFGUWZIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28B2O4/c1-10(2)16-14(17-11(3,4)5)15-18-12(6,7)13(8,9)19-15/h10H,1-9H3.
What are the key properties of (2-methylpropan-2-yl)oxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?
(2-methylpropan-2-yl)oxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane has a molecular weight of 269.99 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane is sourced from PubChem (CID 123517218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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