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

C16H30B2O4 — CID 167726217

IUPAC4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CCC2B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C16H30B2O4/c1-13(2)14(3,4)20-17(19-13)11-9-10-12(11)18-21-15(5,6)16(7,8)22-18/h11-12H,9-10H2,1-8H3
InChIKeyPOQNZWRNPLQWGI-UHFFFAOYSA-N
MW308.04 g/mol
LogP3.70
Rot. Bonds2

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

4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutyl]-1,3,2-dioxaborolane (PubChem CID 167726217) has the molecular formula C16H30B2O4 and a molecular weight of 308.04 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutyl]-1,3,2-dioxaborolane
PubChem CID167726217
Molecular FormulaC16H30B2O4
Molecular Weight308.04 g/mol
Exact Mass308.23
IUPAC Name4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CCC2B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C16H30B2O4/c1-13(2)14(3,4)20-17(19-13)11-9-10-12(11)18-21-15(5,6)16(7,8)22-18/h11-12H,9-10H2,1-8H3
InChIKeyPOQNZWRNPLQWGI-UHFFFAOYSA-N
XLogP3.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.04
LogP ≤ 53.70
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 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutyl]-1,3,2-dioxaborolane (CID 167726217) is 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutyl]-1,3,2-dioxaborolane is CC1(C)OB(C2CCC2B2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutyl]-1,3,2-dioxaborolane?
The InChIKey is POQNZWRNPLQWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30B2O4/c1-13(2)14(3,4)20-17(19-13)11-9-10-12(11)18-21-15(5,6)16(7,8)22-18/h11-12H,9-10H2,1-8H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutyl]-1,3,2-dioxaborolane has a molecular weight of 308.04 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 167726217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).