2-(4-butan-2-yl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H30B2O4 — CID 144892826

IUPAC2-(4-butan-2-yl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC(C)C1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C15H30B2O4/c1-10-11(2)15(9)14(7,8)20-17(21-15)16-18-12(3,4)13(5,6)19-16/h11H,10H2,1-9H3
InChIKeyPJZYQFWZTMFYLK-UHFFFAOYSA-N
MW296.03 g/mol
LogP3.28
Rot. Bonds3

About 2-(4-butan-2-yl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4-butan-2-yl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 144892826) has the molecular formula C15H30B2O4 and a molecular weight of 296.03 g/mol. Its IUPAC name is 2-(4-butan-2-yl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(4-butan-2-yl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID144892826
Molecular FormulaC15H30B2O4
Molecular Weight296.03 g/mol
Exact Mass296.23
IUPAC Name2-(4-butan-2-yl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC(C)C1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C15H30B2O4/c1-10-11(2)15(9)14(7,8)20-17(21-15)16-18-12(3,4)13(5,6)19-16/h11H,10H2,1-9H3
InChIKeyPJZYQFWZTMFYLK-UHFFFAOYSA-N
XLogP3.28
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.03
LogP ≤ 53.28
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-(4-butan-2-yl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(4-butan-2-yl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 144892826) is 2-(4-butan-2-yl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(4-butan-2-yl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(4-butan-2-yl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCC(C)C1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 2-(4-butan-2-yl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is PJZYQFWZTMFYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30B2O4/c1-10-11(2)15(9)14(7,8)20-17(21-15)16-18-12(3,4)13(5,6)19-16/h11H,10H2,1-9H3.
What are the key properties of 2-(4-butan-2-yl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(4-butan-2-yl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 296.03 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-yl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 144892826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).