4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1,3,2-dioxaborolane

C12H24B2O5 — CID 14926002

IUPAC4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1,3,2-dioxaborolane
SMILESCC1(C)OB(OB2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C12H24B2O5/c1-9(2)10(3,4)16-13(15-9)19-14-17-11(5,6)12(7,8)18-14/h1-8H3
InChIKeyPUFKQRVJYAGFFQ-UHFFFAOYSA-N
MW269.94 g/mol
LogP2.18
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1,3,2-dioxaborolane (PubChem CID 14926002) has the molecular formula C12H24B2O5 and a molecular weight of 269.94 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1,3,2-dioxaborolane
PubChem CID14926002
Molecular FormulaC12H24B2O5
Molecular Weight269.94 g/mol
Exact Mass270.18
IUPAC Name4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1,3,2-dioxaborolane
SMILESCC1(C)OB(OB2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C12H24B2O5/c1-9(2)10(3,4)16-13(15-9)19-14-17-11(5,6)12(7,8)18-14/h1-8H3
InChIKeyPUFKQRVJYAGFFQ-UHFFFAOYSA-N
XLogP2.18
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.94
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1,3,2-dioxaborolane (CID 14926002) is 4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1,3,2-dioxaborolane is CC1(C)OB(OB2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1,3,2-dioxaborolane?
The InChIKey is PUFKQRVJYAGFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24B2O5/c1-9(2)10(3,4)16-13(15-9)19-14-17-11(5,6)12(7,8)18-14/h1-8H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1,3,2-dioxaborolane has a molecular weight of 269.94 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1,3,2-dioxaborolane is sourced from PubChem (CID 14926002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).