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

C32H60B4O8 — CID 166440799

IUPAC2-[1-cyclohexyl-1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(B2OC(C)(C)C(C)(C)O2)C(B2OC(C)(C)C(C)(C)O2)(B2OC(C)(C)C(C)(C)O2)C2CCCCC2)OC1(C)C
InChIInChI=1S/C32H60B4O8/c1-24(2)25(3,4)38-33(37-24)23(34-39-26(5,6)27(7,8)40-34)32(22-20-18-17-19-21-22,35-41-28(9,10)29(11,12)42-35)36-43-30(13,14)31(15,16)44-36/h22-23H,17-21H2,1-16H3
InChIKeyASPWASXFNCPHIX-UHFFFAOYSA-N
MW616.07 g/mol
LogP7.12
Rot. Bonds6

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

2-[1-cyclohexyl-1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 166440799) has the molecular formula C32H60B4O8 and a molecular weight of 616.07 g/mol. Its IUPAC name is 2-[1-cyclohexyl-1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[1-cyclohexyl-1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID166440799
Molecular FormulaC32H60B4O8
Molecular Weight616.07 g/mol
Exact Mass616.47
IUPAC Name2-[1-cyclohexyl-1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(B2OC(C)(C)C(C)(C)O2)C(B2OC(C)(C)C(C)(C)O2)(B2OC(C)(C)C(C)(C)O2)C2CCCCC2)OC1(C)C
InChIInChI=1S/C32H60B4O8/c1-24(2)25(3,4)38-33(37-24)23(34-39-26(5,6)27(7,8)40-34)32(22-20-18-17-19-21-22,35-41-28(9,10)29(11,12)42-35)36-43-30(13,14)31(15,16)44-36/h22-23H,17-21H2,1-16H3
InChIKeyASPWASXFNCPHIX-UHFFFAOYSA-N
XLogP7.12
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.07
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[1-cyclohexyl-1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

2-[1-Cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 72681015
2-[(1R)-1-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 135061958
2-[2-Cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154711797
2-[1-Cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154711809
4,4,5,5-Tetramethyl-2-[1,9,9-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonyl]-1,3,2-dioxaborolane
CID 154713112
2-[3-Cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162417811
2,2',2'',2'''-((3R,5S,7S,9R)-2,10-dimethylundecane-3,5,7,9-tetrayl)tetrakis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 165416692
2,2',2'',2''',2'''',2''''',2''''''-((2S,4S,6R,8R,10S)-tridecane-1,2,4,6,8,10,13-heptayl)heptakis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 165416710
4,4,5,5-Tetramethyl-2-[1,1,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octan-2-yl]-1,3,2-dioxaborolane
CID 176421668
2,2'-(1-Cyclohexylpropane-1,3-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 176911835
2-[1-Cyclohexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176911844
2-[(1S)-1-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 60200377

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclohexyl-1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[1-cyclohexyl-1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 166440799) is 2-[1-cyclohexyl-1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[1-cyclohexyl-1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[1-cyclohexyl-1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C(B2OC(C)(C)C(C)(C)O2)C(B2OC(C)(C)C(C)(C)O2)(B2OC(C)(C)C(C)(C)O2)C2CCCCC2)OC1(C)C.
What is the InChIKey of 2-[1-cyclohexyl-1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ASPWASXFNCPHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60B4O8/c1-24(2)25(3,4)38-33(37-24)23(34-39-26(5,6)27(7,8)40-34)32(22-20-18-17-19-21-22,35-41-28(9,10)29(11,12)42-35)36-43-30(13,14)31(15,16)44-36/h22-23H,17-21H2,1-16H3.
What are the key properties of 2-[1-cyclohexyl-1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[1-cyclohexyl-1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 616.07 g/mol, XLogP of 7.12, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclohexyl-1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 166440799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).