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

C19H36B2O4 — CID 154712802

IUPAC2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(B2OC(C)(C)C(C)(C)O2)C2CCCCC2)OC1(C)C
InChIInChI=1S/C19H36B2O4/c1-16(2)17(3,4)23-20(22-16)15(14-12-10-9-11-13-14)21-24-18(5,6)19(7,8)25-21/h14-15H,9-13H2,1-8H3
InChIKeyOUKLCCRTFQXMRB-UHFFFAOYSA-N
MW350.12 g/mol
LogP4.66
Rot. Bonds3

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

2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 154712802) has the molecular formula C19H36B2O4 and a molecular weight of 350.12 g/mol. Its IUPAC name is 2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID154712802
Molecular FormulaC19H36B2O4
Molecular Weight350.12 g/mol
Exact Mass350.28
IUPAC Name2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(B2OC(C)(C)C(C)(C)O2)C2CCCCC2)OC1(C)C
InChIInChI=1S/C19H36B2O4/c1-16(2)17(3,4)23-20(22-16)15(14-12-10-9-11-13-14)21-24-18(5,6)19(7,8)25-21/h14-15H,9-13H2,1-8H3
InChIKeyOUKLCCRTFQXMRB-UHFFFAOYSA-N
XLogP4.66
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.12
LogP ≤ 54.66
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-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 154712802) is 2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C(B2OC(C)(C)C(C)(C)O2)C2CCCCC2)OC1(C)C.
What is the InChIKey of 2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is OUKLCCRTFQXMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36B2O4/c1-16(2)17(3,4)23-20(22-16)15(14-12-10-9-11-13-14)21-24-18(5,6)19(7,8)25-21/h14-15H,9-13H2,1-8H3.
What are the key properties of 2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 350.12 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 154712802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).