2-[1-cyclohexyl-3-(2,6-dimethylphenyl)cyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C24H37BO2 — CID 134821145

IUPAC2-[1-cyclohexyl-3-(2,6-dimethylphenyl)cyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCc1cccc(C)c1C1CC(B2OC(C)(C)C(C)(C)O2)(C2CCCCC2)C1
InChIInChI=1S/C24H37BO2/c1-17-11-10-12-18(2)21(17)19-15-24(16-19,20-13-8-7-9-14-20)25-26-22(3,4)23(5,6)27-25/h10-12,19-20H,7-9,13-16H2,1-6H3
InChIKeyLXUUUTRZVYBBHR-UHFFFAOYSA-N
MW368.37 g/mol
LogP6.59
Rot. Bonds3

About 2-[1-cyclohexyl-3-(2,6-dimethylphenyl)cyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[1-cyclohexyl-3-(2,6-dimethylphenyl)cyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 134821145) has the molecular formula C24H37BO2 and a molecular weight of 368.37 g/mol. Its IUPAC name is 2-[1-cyclohexyl-3-(2,6-dimethylphenyl)cyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[1-cyclohexyl-3-(2,6-dimethylphenyl)cyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID134821145
Molecular FormulaC24H37BO2
Molecular Weight368.37 g/mol
Exact Mass368.29
IUPAC Name2-[1-cyclohexyl-3-(2,6-dimethylphenyl)cyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCc1cccc(C)c1C1CC(B2OC(C)(C)C(C)(C)O2)(C2CCCCC2)C1
InChIInChI=1S/C24H37BO2/c1-17-11-10-12-18(2)21(17)19-15-24(16-19,20-13-8-7-9-14-20)25-26-22(3,4)23(5,6)27-25/h10-12,19-20H,7-9,13-16H2,1-6H3
InChIKeyLXUUUTRZVYBBHR-UHFFFAOYSA-N
XLogP6.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.37
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclohexyl-3-(2,6-dimethylphenyl)cyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[1-cyclohexyl-3-(2,6-dimethylphenyl)cyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 134821145) is 2-[1-cyclohexyl-3-(2,6-dimethylphenyl)cyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[1-cyclohexyl-3-(2,6-dimethylphenyl)cyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[1-cyclohexyl-3-(2,6-dimethylphenyl)cyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is Cc1cccc(C)c1C1CC(B2OC(C)(C)C(C)(C)O2)(C2CCCCC2)C1.
What is the InChIKey of 2-[1-cyclohexyl-3-(2,6-dimethylphenyl)cyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is LXUUUTRZVYBBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37BO2/c1-17-11-10-12-18(2)21(17)19-15-24(16-19,20-13-8-7-9-14-20)25-26-22(3,4)23(5,6)27-25/h10-12,19-20H,7-9,13-16H2,1-6H3.
What are the key properties of 2-[1-cyclohexyl-3-(2,6-dimethylphenyl)cyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[1-cyclohexyl-3-(2,6-dimethylphenyl)cyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 368.37 g/mol, XLogP of 6.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclohexyl-3-(2,6-dimethylphenyl)cyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 134821145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).