2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol

C12H23BO3 — CID 115035373

IUPAC2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol
SMILESCC1(C)OB(C2CCCCC2O)OC1(C)C
InChIInChI=1S/C12H23BO3/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h9-10,14H,5-8H2,1-4H3
InChIKeyVKTXXKWJULAEDO-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.38
Rot. Bonds1

About 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol (PubChem CID 115035373) has the molecular formula C12H23BO3 and a molecular weight of 226.12 g/mol. Its IUPAC name is 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol
PubChem CID115035373
Molecular FormulaC12H23BO3
Molecular Weight226.12 g/mol
Exact Mass226.17
IUPAC Name2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol
SMILESCC1(C)OB(C2CCCCC2O)OC1(C)C
InChIInChI=1S/C12H23BO3/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h9-10,14H,5-8H2,1-4H3
InChIKeyVKTXXKWJULAEDO-UHFFFAOYSA-N
XLogP2.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Cyclohexyloxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11984021
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol
CID 57368686
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol
CID 115035375
1-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol
CID 101505491
1-Cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol
CID 101894308
1-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol
CID 134963463
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol
CID 154712527
(S)-cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol
CID 154718790
1-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)heptan-2-ol
CID 154719027
Cyclohexyloxyboronic acid;2,3-dimethylbutane-2,3-diol
CID 69013396
2-Methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]oxypropan-1-ol
CID 71019441
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol
CID 155738263

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol?
The IUPAC name of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol (CID 115035373) is 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol is CC1(C)OB(C2CCCCC2O)OC1(C)C.
What is the InChIKey of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol?
The InChIKey is VKTXXKWJULAEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BO3/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol?
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol has a molecular weight of 226.12 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 115035373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).