4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,2-dioxaborolane

C19H34B2O4 — CID 22737458

IUPAC4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2C3CCC(C3)C2B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C19H34B2O4/c1-16(2)17(3,4)23-20(22-16)14-12-9-10-13(11-12)15(14)21-24-18(5,6)19(7,8)25-21/h12-15H,9-11H2,1-8H3
InChIKeyPXPLCXSYFYJHDC-UHFFFAOYSA-N
MW348.10 g/mol
LogP4.34
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,2-dioxaborolane (PubChem CID 22737458) has the molecular formula C19H34B2O4 and a molecular weight of 348.10 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,2-dioxaborolane
PubChem CID22737458
Molecular FormulaC19H34B2O4
Molecular Weight348.10 g/mol
Exact Mass348.26
IUPAC Name4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2C3CCC(C3)C2B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C19H34B2O4/c1-16(2)17(3,4)23-20(22-16)14-12-9-10-13(11-12)15(14)21-24-18(5,6)19(7,8)25-21/h12-15H,9-11H2,1-8H3
InChIKeyPXPLCXSYFYJHDC-UHFFFAOYSA-N
XLogP4.34
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.10
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,2-dioxaborolane (CID 22737458) is 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,2-dioxaborolane is CC1(C)OB(C2C3CCC(C3)C2B2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,2-dioxaborolane?
The InChIKey is PXPLCXSYFYJHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34B2O4/c1-16(2)17(3,4)23-20(22-16)14-12-9-10-13(11-12)15(14)21-24-18(5,6)19(7,8)25-21/h12-15H,9-11H2,1-8H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,2-dioxaborolane has a molecular weight of 348.10 g/mol, XLogP of 4.34, 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-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 22737458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).