2-(1,4-dioxan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C10H19BO4 — CID 130067615

IUPAC2-(1,4-dioxan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2COCCO2)OC1(C)C
InChIInChI=1S/C10H19BO4/c1-9(2)10(3,4)15-11(14-9)8-7-12-5-6-13-8/h8H,5-7H2,1-4H3
InChIKeyLBYNRZXPAOCFGY-UHFFFAOYSA-N
MW214.07 g/mol
LogP1.03
Rot. Bonds1

About 2-(1,4-dioxan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(1,4-dioxan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 130067615) has the molecular formula C10H19BO4 and a molecular weight of 214.07 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID130067615
Molecular FormulaC10H19BO4
Molecular Weight214.07 g/mol
Exact Mass214.14
IUPAC Name2-(1,4-dioxan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2COCCO2)OC1(C)C
InChIInChI=1S/C10H19BO4/c1-9(2)10(3,4)15-11(14-9)8-7-12-5-6-13-8/h8H,5-7H2,1-4H3
InChIKeyLBYNRZXPAOCFGY-UHFFFAOYSA-N
XLogP1.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.07
LogP ≤ 51.03
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-(1,4-dioxan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1,4-dioxan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 130067615) is 2-(1,4-dioxan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1,4-dioxan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2COCCO2)OC1(C)C.
What is the InChIKey of 2-(1,4-dioxan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is LBYNRZXPAOCFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BO4/c1-9(2)10(3,4)15-11(14-9)8-7-12-5-6-13-8/h8H,5-7H2,1-4H3.
What are the key properties of 2-(1,4-dioxan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1,4-dioxan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 214.07 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 130067615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).