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

C21H40B2O4 — CID 138984256

IUPAC2-[(2R)-2-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC[C@@H](C1CCCCC1)C(B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C21H40B2O4/c1-15(16-13-11-10-12-14-16)17(22-24-18(2,3)19(4,5)25-22)23-26-20(6,7)21(8,9)27-23/h15-17H,10-14H2,1-9H3/t15-/m0/s1
InChIKeyHCAJKFNLDHJLDB-HNNXBMFYSA-N
MW378.17 g/mol
LogP5.30
Rot. Bonds4

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

2-[(2R)-2-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 138984256) has the molecular formula C21H40B2O4 and a molecular weight of 378.17 g/mol. Its IUPAC name is 2-[(2R)-2-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(2R)-2-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID138984256
Molecular FormulaC21H40B2O4
Molecular Weight378.17 g/mol
Exact Mass378.31
IUPAC Name2-[(2R)-2-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC[C@@H](C1CCCCC1)C(B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C21H40B2O4/c1-15(16-13-11-10-12-14-16)17(22-24-18(2,3)19(4,5)25-22)23-26-20(6,7)21(8,9)27-23/h15-17H,10-14H2,1-9H3/t15-/m0/s1
InChIKeyHCAJKFNLDHJLDB-HNNXBMFYSA-N
XLogP5.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.17
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

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
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
1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexane
CID 76001522
4,4,5,5-Tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]-1,3,2-dioxaborolane
CID 141527671
4,4,5,5-tetramethyl-2-[(1R,2R,3S,4S)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,2-dioxaborolane
CID 11782989
2,2'-(Octane-1,2-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 54598013
4,4,5,5-tetramethyl-2-[(2S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octan-2-yl]-1,3,2-dioxaborolane
CID 60200378
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
4,4,5,5-tetramethyl-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane
CID 102347051
4,4,5,5-Tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)decan-2-yl]-1,3,2-dioxaborolane
CID 134904257
4,4,5,5-tetramethyl-2-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane
CID 134966185
2-[(2R)-1-cyclopentyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 135061493

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(2R)-2-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 138984256) is 2-[(2R)-2-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(2R)-2-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(2R)-2-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C[C@@H](C1CCCCC1)C(B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(2R)-2-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is HCAJKFNLDHJLDB-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H40B2O4/c1-15(16-13-11-10-12-14-16)17(22-24-18(2,3)19(4,5)25-22)23-26-20(6,7)21(8,9)27-23/h15-17H,10-14H2,1-9H3/t15-/m0/s1.
What are the key properties of 2-[(2R)-2-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(2R)-2-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 378.17 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 138984256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).