2-[2-(2,4,5,5-tetramethyl-1,3,2-dioxaborolan-4-yl)ethyl]-1,3,2-dioxaborinane

C11H22B2O4 — CID 123889351

IUPAC2-[2-(2,4,5,5-tetramethyl-1,3,2-dioxaborolan-4-yl)ethyl]-1,3,2-dioxaborinane
SMILESCB1OC(C)(C)C(C)(CCB2OCCCO2)O1
InChIInChI=1S/C11H22B2O4/c1-10(2)11(3,17-12(4)16-10)6-7-13-14-8-5-9-15-13/h5-9H2,1-4H3
InChIKeySXQMQVSBEDADDD-UHFFFAOYSA-N
MW239.92 g/mol
LogP2.00
Rot. Bonds3

About 2-[2-(2,4,5,5-tetramethyl-1,3,2-dioxaborolan-4-yl)ethyl]-1,3,2-dioxaborinane

2-[2-(2,4,5,5-tetramethyl-1,3,2-dioxaborolan-4-yl)ethyl]-1,3,2-dioxaborinane (PubChem CID 123889351) has the molecular formula C11H22B2O4 and a molecular weight of 239.92 g/mol. Its IUPAC name is 2-[2-(2,4,5,5-tetramethyl-1,3,2-dioxaborolan-4-yl)ethyl]-1,3,2-dioxaborinane.

Molecular Properties

Compound Name2-[2-(2,4,5,5-tetramethyl-1,3,2-dioxaborolan-4-yl)ethyl]-1,3,2-dioxaborinane
PubChem CID123889351
Molecular FormulaC11H22B2O4
Molecular Weight239.92 g/mol
Exact Mass240.17
IUPAC Name2-[2-(2,4,5,5-tetramethyl-1,3,2-dioxaborolan-4-yl)ethyl]-1,3,2-dioxaborinane
SMILESCB1OC(C)(C)C(C)(CCB2OCCCO2)O1
InChIInChI=1S/C11H22B2O4/c1-10(2)11(3,17-12(4)16-10)6-7-13-14-8-5-9-15-13/h5-9H2,1-4H3
InChIKeySXQMQVSBEDADDD-UHFFFAOYSA-N
XLogP2.00
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.92
LogP ≤ 52.00
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-[2-(2,4,5,5-tetramethyl-1,3,2-dioxaborolan-4-yl)ethyl]-1,3,2-dioxaborinane?
The IUPAC name of 2-[2-(2,4,5,5-tetramethyl-1,3,2-dioxaborolan-4-yl)ethyl]-1,3,2-dioxaborinane (CID 123889351) is 2-[2-(2,4,5,5-tetramethyl-1,3,2-dioxaborolan-4-yl)ethyl]-1,3,2-dioxaborinane.
What is the SMILES notation for 2-[2-(2,4,5,5-tetramethyl-1,3,2-dioxaborolan-4-yl)ethyl]-1,3,2-dioxaborinane?
The canonical SMILES for 2-[2-(2,4,5,5-tetramethyl-1,3,2-dioxaborolan-4-yl)ethyl]-1,3,2-dioxaborinane is CB1OC(C)(C)C(C)(CCB2OCCCO2)O1.
What is the InChIKey of 2-[2-(2,4,5,5-tetramethyl-1,3,2-dioxaborolan-4-yl)ethyl]-1,3,2-dioxaborinane?
The InChIKey is SXQMQVSBEDADDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22B2O4/c1-10(2)11(3,17-12(4)16-10)6-7-13-14-8-5-9-15-13/h5-9H2,1-4H3.
What are the key properties of 2-[2-(2,4,5,5-tetramethyl-1,3,2-dioxaborolan-4-yl)ethyl]-1,3,2-dioxaborinane?
2-[2-(2,4,5,5-tetramethyl-1,3,2-dioxaborolan-4-yl)ethyl]-1,3,2-dioxaborinane has a molecular weight of 239.92 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4,5,5-tetramethyl-1,3,2-dioxaborolan-4-yl)ethyl]-1,3,2-dioxaborinane is sourced from PubChem (CID 123889351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).