4,4,5,5-tetramethyl-2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,2-dioxaborolane

C15H27BO2 — CID 153315412

IUPAC4,4,5,5-tetramethyl-2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,2-dioxaborolane
SMILESCC12CCC(B3OC(C)(C)C(C)(C)O3)(CC1)CC2
InChIInChI=1S/C15H27BO2/c1-12(2)13(3,4)18-16(17-12)15-9-6-14(5,7-10-15)8-11-15/h6-11H2,1-5H3
InChIKeyQGQKOUWACRKNNW-UHFFFAOYSA-N
MW250.19 g/mol
LogP4.19
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,2-dioxaborolane (PubChem CID 153315412) has the molecular formula C15H27BO2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,2-dioxaborolane
PubChem CID153315412
Molecular FormulaC15H27BO2
Molecular Weight250.19 g/mol
Exact Mass250.21
IUPAC Name4,4,5,5-tetramethyl-2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,2-dioxaborolane
SMILESCC12CCC(B3OC(C)(C)C(C)(C)O3)(CC1)CC2
InChIInChI=1S/C15H27BO2/c1-12(2)13(3,4)18-16(17-12)15-9-6-14(5,7-10-15)8-11-15/h6-11H2,1-5H3
InChIKeyQGQKOUWACRKNNW-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-1-bicyclo[2.2.2]octanyl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,2-dioxaborolane (CID 153315412) is 4,4,5,5-tetramethyl-2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,2-dioxaborolane is CC12CCC(B3OC(C)(C)C(C)(C)O3)(CC1)CC2.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,2-dioxaborolane?
The InChIKey is QGQKOUWACRKNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BO2/c1-12(2)13(3,4)18-16(17-12)15-9-6-14(5,7-10-15)8-11-15/h6-11H2,1-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,2-dioxaborolane has a molecular weight of 250.19 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 153315412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).