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

C13H25BO3 — CID 135080230

IUPAC(2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol
SMILESC[C@@H]1CCCCC1(O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H25BO3/c1-10-8-6-7-9-13(10,15)14-16-11(2,3)12(4,5)17-14/h10,15H,6-9H2,1-5H3/t10-,13?/m1/s1
InChIKeyGUSXCQGJODTUOK-VUUHIHSGSA-N
MW240.15 g/mol
LogP2.56
Rot. Bonds1

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

(2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol (PubChem CID 135080230) has the molecular formula C13H25BO3 and a molecular weight of 240.15 g/mol. Its IUPAC name is (2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name(2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol
PubChem CID135080230
Molecular FormulaC13H25BO3
Molecular Weight240.15 g/mol
Exact Mass240.19
IUPAC Name(2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol
SMILESC[C@@H]1CCCCC1(O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H25BO3/c1-10-8-6-7-9-13(10,15)14-16-11(2,3)12(4,5)17-14/h10,15H,6-9H2,1-5H3/t10-,13?/m1/s1
InChIKeyGUSXCQGJODTUOK-VUUHIHSGSA-N
XLogP2.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.15
LogP ≤ 52.56
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

1-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol
CID 101505491
trans-(1R,2S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol
CID 101505494
1-Cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol
CID 101894308
(S)-cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol
CID 154718790
(1S)-1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol
CID 154719026
2-[(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol
CID 115043508
4-[(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol
CID 115043509
1-Cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol
CID 132509926

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol?
The IUPAC name of (2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol (CID 135080230) is (2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for (2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol?
The canonical SMILES for (2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol is C[C@@H]1CCCCC1(O)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol?
The InChIKey is GUSXCQGJODTUOK-VUUHIHSGSA-N. The full InChI is InChI=1S/C13H25BO3/c1-10-8-6-7-9-13(10,15)14-16-11(2,3)12(4,5)17-14/h10,15H,6-9H2,1-5H3/t10-,13?/m1/s1.
What are the key properties of (2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol?
(2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol has a molecular weight of 240.15 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 135080230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).