4,4,5,5-tetramethyl-2-[3-phenyl-1-(2-phenylethyl)cyclobutyl]-1,3,2-dioxaborolane

C24H31BO2 — CID 134821144

IUPAC4,4,5,5-tetramethyl-2-[3-phenyl-1-(2-phenylethyl)cyclobutyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2(CCc3ccccc3)CC(c3ccccc3)C2)OC1(C)C
InChIInChI=1S/C24H31BO2/c1-22(2)23(3,4)27-25(26-22)24(16-15-19-11-7-5-8-12-19)17-21(18-24)20-13-9-6-10-14-20/h5-14,21H,15-18H2,1-4H3
InChIKeyGPGNJTVTWBLMOO-UHFFFAOYSA-N
MW362.32 g/mol
LogP6.03
Rot. Bonds5

About 4,4,5,5-tetramethyl-2-[3-phenyl-1-(2-phenylethyl)cyclobutyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[3-phenyl-1-(2-phenylethyl)cyclobutyl]-1,3,2-dioxaborolane (PubChem CID 134821144) has the molecular formula C24H31BO2 and a molecular weight of 362.32 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[3-phenyl-1-(2-phenylethyl)cyclobutyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[3-phenyl-1-(2-phenylethyl)cyclobutyl]-1,3,2-dioxaborolane
PubChem CID134821144
Molecular FormulaC24H31BO2
Molecular Weight362.32 g/mol
Exact Mass362.24
IUPAC Name4,4,5,5-tetramethyl-2-[3-phenyl-1-(2-phenylethyl)cyclobutyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2(CCc3ccccc3)CC(c3ccccc3)C2)OC1(C)C
InChIInChI=1S/C24H31BO2/c1-22(2)23(3,4)27-25(26-22)24(16-15-19-11-7-5-8-12-19)17-21(18-24)20-13-9-6-10-14-20/h5-14,21H,15-18H2,1-4H3
InChIKeyGPGNJTVTWBLMOO-UHFFFAOYSA-N
XLogP6.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.32
LogP ≤ 56.03
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

4,4,5,5-tetramethyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-1,3,2-dioxaborolane
CID 178201203
4,4,5-trimethyl-2-phenyl-5-(2-phenylethyl)-1,3,2-dioxaborolane
CID 175605277
4,4,5,5-tetramethyl-2-[4-(2-phenylethyl)phenyl]-1,3,2-dioxaborolane
CID 102447774
2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
4,4,5,5-tetramethyl-2-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane
CID 165350697
2,2,6,6-tetramethyl-4-phenylpiperidine
CID 11481361
2-methyl-1-(2-phenylethyl)cyclopropan-1-amine
CID 79332321
[(1R,2R)-2-methyl-2-(2-phenylethyl)cyclopropyl]methanol
CID 10535692
4,4,5,5-tetramethyl-2-[(1E,3E)-6-phenylhexa-1,3-dienyl]-1,3,2-dioxaborolane
CID 12023376
2-methyl-2-(2-phenylethyl)piperidin-4-ol
CID 141099147
N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine
CID 102513783
(1R)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine
CID 142595987

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[3-phenyl-1-(2-phenylethyl)cyclobutyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[3-phenyl-1-(2-phenylethyl)cyclobutyl]-1,3,2-dioxaborolane (CID 134821144) is 4,4,5,5-tetramethyl-2-[3-phenyl-1-(2-phenylethyl)cyclobutyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[3-phenyl-1-(2-phenylethyl)cyclobutyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[3-phenyl-1-(2-phenylethyl)cyclobutyl]-1,3,2-dioxaborolane is CC1(C)OB(C2(CCc3ccccc3)CC(c3ccccc3)C2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[3-phenyl-1-(2-phenylethyl)cyclobutyl]-1,3,2-dioxaborolane?
The InChIKey is GPGNJTVTWBLMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31BO2/c1-22(2)23(3,4)27-25(26-22)24(16-15-19-11-7-5-8-12-19)17-21(18-24)20-13-9-6-10-14-20/h5-14,21H,15-18H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[3-phenyl-1-(2-phenylethyl)cyclobutyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[3-phenyl-1-(2-phenylethyl)cyclobutyl]-1,3,2-dioxaborolane has a molecular weight of 362.32 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[3-phenyl-1-(2-phenylethyl)cyclobutyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 134821144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).