4,4,5-trimethyl-2-phenyl-5-(2-phenylethyl)-1,3,2-dioxaborolane

C19H23BO2 — CID 175605277

IUPAC4,4,5-trimethyl-2-phenyl-5-(2-phenylethyl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccccc2)OC1(C)CCc1ccccc1
InChIInChI=1S/C19H23BO2/c1-18(2)19(3,15-14-16-10-6-4-7-11-16)22-20(21-18)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyXEOKREJLDQGDCU-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.60
Rot. Bonds4

About 4,4,5-trimethyl-2-phenyl-5-(2-phenylethyl)-1,3,2-dioxaborolane

4,4,5-trimethyl-2-phenyl-5-(2-phenylethyl)-1,3,2-dioxaborolane (PubChem CID 175605277) has the molecular formula C19H23BO2 and a molecular weight of 294.20 g/mol. Its IUPAC name is 4,4,5-trimethyl-2-phenyl-5-(2-phenylethyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5-trimethyl-2-phenyl-5-(2-phenylethyl)-1,3,2-dioxaborolane
PubChem CID175605277
Molecular FormulaC19H23BO2
Molecular Weight294.20 g/mol
Exact Mass294.18
IUPAC Name4,4,5-trimethyl-2-phenyl-5-(2-phenylethyl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccccc2)OC1(C)CCc1ccccc1
InChIInChI=1S/C19H23BO2/c1-18(2)19(3,15-14-16-10-6-4-7-11-16)22-20(21-18)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyXEOKREJLDQGDCU-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.60
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-[4-(2-phenylethyl)phenyl]-1,3,2-dioxaborolane
CID 102447774
prop-1-ene;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane
CID 160688261
2,4-diphenyl-6-[(4,5,5-trimethyl-2-phenyl-1,3,2-dioxaborolan-4-yl)methyl]-1,3,5-triazine
CID 175408173
5-[(4,5,5-trimethyl-2-phenyl-1,3,2-dioxaborolan-4-yl)methyl]-2H-tetrazole
CID 175535385
1-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-one
CID 58677932
4,4,5,5-tetramethyl-2-[3-phenyl-1-(2-phenylethyl)cyclobutyl]-1,3,2-dioxaborolane
CID 134821144
2-[4-(2-chloroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176899707
2-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol
CID 154713313
2-(4-deuteriophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138376291
4-(ethoxymethyl)-4-(2-phenylethyl)-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidine
CID 140909132
N-methyl-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride
CID 138040146
2-benzyl-4-(2-bromoethyl)-4,5,5-trimethyl-1,3,2-dioxaborolane
CID 175264049

Frequently Asked Questions

What is the IUPAC name of 4,4,5-trimethyl-2-phenyl-5-(2-phenylethyl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5-trimethyl-2-phenyl-5-(2-phenylethyl)-1,3,2-dioxaborolane (CID 175605277) is 4,4,5-trimethyl-2-phenyl-5-(2-phenylethyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5-trimethyl-2-phenyl-5-(2-phenylethyl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5-trimethyl-2-phenyl-5-(2-phenylethyl)-1,3,2-dioxaborolane is CC1(C)OB(c2ccccc2)OC1(C)CCc1ccccc1.
What is the InChIKey of 4,4,5-trimethyl-2-phenyl-5-(2-phenylethyl)-1,3,2-dioxaborolane?
The InChIKey is XEOKREJLDQGDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BO2/c1-18(2)19(3,15-14-16-10-6-4-7-11-16)22-20(21-18)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3.
What are the key properties of 4,4,5-trimethyl-2-phenyl-5-(2-phenylethyl)-1,3,2-dioxaborolane?
4,4,5-trimethyl-2-phenyl-5-(2-phenylethyl)-1,3,2-dioxaborolane has a molecular weight of 294.20 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethyl-2-phenyl-5-(2-phenylethyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 175605277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).