2-cyclohexyl-1-hydroxy-4,4,5,5-tetramethylborolan-3-ol

C14H27BO2 — CID 140654622

IUPAC2-cyclohexyl-1-hydroxy-4,4,5,5-tetramethylborolan-3-ol
SMILESCC1(C)B(O)C(C2CCCCC2)C(O)C1(C)C
InChIInChI=1S/C14H27BO2/c1-13(2)12(16)11(15(17)14(13,3)4)10-8-6-5-7-9-10/h10-12,16-17H,5-9H2,1-4H3
InChIKeyLOHIJKUHRYRSGT-UHFFFAOYSA-N
MW238.18 g/mol
LogP3.10
Rot. Bonds1

About 2-cyclohexyl-1-hydroxy-4,4,5,5-tetramethylborolan-3-ol

2-cyclohexyl-1-hydroxy-4,4,5,5-tetramethylborolan-3-ol (PubChem CID 140654622) has the molecular formula C14H27BO2 and a molecular weight of 238.18 g/mol. Its IUPAC name is 2-cyclohexyl-1-hydroxy-4,4,5,5-tetramethylborolan-3-ol.

Molecular Properties

Compound Name2-cyclohexyl-1-hydroxy-4,4,5,5-tetramethylborolan-3-ol
PubChem CID140654622
Molecular FormulaC14H27BO2
Molecular Weight238.18 g/mol
Exact Mass238.21
IUPAC Name2-cyclohexyl-1-hydroxy-4,4,5,5-tetramethylborolan-3-ol
SMILESCC1(C)B(O)C(C2CCCCC2)C(O)C1(C)C
InChIInChI=1S/C14H27BO2/c1-13(2)12(16)11(15(17)14(13,3)4)10-8-6-5-7-9-10/h10-12,16-17H,5-9H2,1-4H3
InChIKeyLOHIJKUHRYRSGT-UHFFFAOYSA-N
XLogP3.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-Butylcyclohexanol
CID 26068
rel-(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol
CID 6995537
Cyclohexanol, 2-(1,1-dimethylethyl)-, (1R,2R)-rel-
CID 6995536
1-Cyclohexyl-2,2-dimethylpropan-1-ol
CID 143868
2-tert-Butylcyclohexanol, cis-
CID 81634
2-(2-Methylbutan-2-yl)cyclohexan-1-ol
CID 228336
Cyclohexanol, 2-(1,1-dimethylethyl)-, (1S,2R)-
CID 6995535
Cyclohexanepropanol, alpha,gamma,gamma,4-tetramethyl-
CID 107356
Cyclohexanepropanol, alpha,beta,beta-trimethyl-
CID 175124
4-Ethyl-alpha,gamma,gamma-trimethylcyclohexanepropanol
CID 112066
4-Isopropyl-alpha,gamma,gamma-trimethylcyclohexanepropanol
CID 112067
3-(Isopropyl)-alpha,gamma,gamma-trimethylcyclohexanepropanol
CID 113433

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-hydroxy-4,4,5,5-tetramethylborolan-3-ol?
The IUPAC name of 2-cyclohexyl-1-hydroxy-4,4,5,5-tetramethylborolan-3-ol (CID 140654622) is 2-cyclohexyl-1-hydroxy-4,4,5,5-tetramethylborolan-3-ol.
What is the SMILES notation for 2-cyclohexyl-1-hydroxy-4,4,5,5-tetramethylborolan-3-ol?
The canonical SMILES for 2-cyclohexyl-1-hydroxy-4,4,5,5-tetramethylborolan-3-ol is CC1(C)B(O)C(C2CCCCC2)C(O)C1(C)C.
What is the InChIKey of 2-cyclohexyl-1-hydroxy-4,4,5,5-tetramethylborolan-3-ol?
The InChIKey is LOHIJKUHRYRSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BO2/c1-13(2)12(16)11(15(17)14(13,3)4)10-8-6-5-7-9-10/h10-12,16-17H,5-9H2,1-4H3.
What are the key properties of 2-cyclohexyl-1-hydroxy-4,4,5,5-tetramethylborolan-3-ol?
2-cyclohexyl-1-hydroxy-4,4,5,5-tetramethylborolan-3-ol has a molecular weight of 238.18 g/mol, XLogP of 3.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-hydroxy-4,4,5,5-tetramethylborolan-3-ol is sourced from PubChem (CID 140654622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).