2-[(R)-cyclobutyl(cyclohexyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C17H31BO2 — CID 164674094

IUPAC2-[(R)-cyclobutyl(cyclohexyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB([C@@H](C2CCCCC2)C2CCC2)OC1(C)C
InChIInChI=1S/C17H31BO2/c1-16(2)17(3,4)20-18(19-16)15(14-11-8-12-14)13-9-6-5-7-10-13/h13-15H,5-12H2,1-4H3/t15-/m0/s1
InChIKeyOXKJUZLSAQJHOF-HNNXBMFYSA-N
MW278.24 g/mol
LogP4.83
Rot. Bonds3

About 2-[(R)-cyclobutyl(cyclohexyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(R)-cyclobutyl(cyclohexyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 164674094) has the molecular formula C17H31BO2 and a molecular weight of 278.24 g/mol. Its IUPAC name is 2-[(R)-cyclobutyl(cyclohexyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(R)-cyclobutyl(cyclohexyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID164674094
Molecular FormulaC17H31BO2
Molecular Weight278.24 g/mol
Exact Mass278.24
IUPAC Name2-[(R)-cyclobutyl(cyclohexyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB([C@@H](C2CCCCC2)C2CCC2)OC1(C)C
InChIInChI=1S/C17H31BO2/c1-16(2)17(3,4)20-18(19-16)15(14-11-8-12-14)13-9-6-5-7-10-13/h13-15H,5-12H2,1-4H3/t15-/m0/s1
InChIKeyOXKJUZLSAQJHOF-HNNXBMFYSA-N
XLogP4.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Cyclohexylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 14425021
2-(3,5-Dimethylcyclohexyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 121553466
2-(2-Cyclohexylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145874387
2-[1-Cyclohexyl-3-(trifluoromethyl)cyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176437442
2-(2-Cyclohexylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15259990
2-(1-Cyclohexylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 73006462
2-(Bicyclo[3.1.1]heptan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 156009407
4,4,5,5-tetramethyl-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane
CID 102347051
2-(1-Cyclohexylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134821159
4,4,5,5-tetramethyl-2-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane
CID 134966185
2-(1-Cyclohexylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 135065031
2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154712564

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-cyclobutyl(cyclohexyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(R)-cyclobutyl(cyclohexyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 164674094) is 2-[(R)-cyclobutyl(cyclohexyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(R)-cyclobutyl(cyclohexyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(R)-cyclobutyl(cyclohexyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB([C@@H](C2CCCCC2)C2CCC2)OC1(C)C.
What is the InChIKey of 2-[(R)-cyclobutyl(cyclohexyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is OXKJUZLSAQJHOF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H31BO2/c1-16(2)17(3,4)20-18(19-16)15(14-11-8-12-14)13-9-6-5-7-10-13/h13-15H,5-12H2,1-4H3/t15-/m0/s1.
What are the key properties of 2-[(R)-cyclobutyl(cyclohexyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(R)-cyclobutyl(cyclohexyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 278.24 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-cyclobutyl(cyclohexyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 164674094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).