4,4,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane

C13H26B2O4 — CID 161385884

IUPAC4,4,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane
SMILESCC1(C)CC(C)(C)OB(B2OC(C)(C)C(C)(C)O2)O1
InChIInChI=1S/C13H26B2O4/c1-10(2)9-11(3,4)17-14(16-10)15-18-12(5,6)13(7,8)19-15/h9H2,1-8H3
InChIKeyVSILTVPZWSBVAZ-UHFFFAOYSA-N
MW267.97 g/mol
LogP2.64
Rot. Bonds1

About 4,4,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane

4,4,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane (PubChem CID 161385884) has the molecular formula C13H26B2O4 and a molecular weight of 267.97 g/mol. Its IUPAC name is 4,4,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane.

Molecular Properties

Compound Name4,4,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane
PubChem CID161385884
Molecular FormulaC13H26B2O4
Molecular Weight267.97 g/mol
Exact Mass268.20
IUPAC Name4,4,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane
SMILESCC1(C)CC(C)(C)OB(B2OC(C)(C)C(C)(C)O2)O1
InChIInChI=1S/C13H26B2O4/c1-10(2)9-11(3,4)17-14(16-10)15-18-12(5,6)13(7,8)19-15/h9H2,1-8H3
InChIKeyVSILTVPZWSBVAZ-UHFFFAOYSA-N
XLogP2.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.97
LogP ≤ 52.64
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 4,4,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane?
The IUPAC name of 4,4,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane (CID 161385884) is 4,4,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane.
What is the SMILES notation for 4,4,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane?
The canonical SMILES for 4,4,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane is CC1(C)CC(C)(C)OB(B2OC(C)(C)C(C)(C)O2)O1.
What is the InChIKey of 4,4,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane?
The InChIKey is VSILTVPZWSBVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26B2O4/c1-10(2)9-11(3,4)17-14(16-10)15-18-12(5,6)13(7,8)19-15/h9H2,1-8H3.
What are the key properties of 4,4,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane?
4,4,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane has a molecular weight of 267.97 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane is sourced from PubChem (CID 161385884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).