2-(5-tert-butyl-2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C18H29BO2 — CID 149413877

IUPAC2-(5-tert-butyl-2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCc1cc(C(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1C
InChIInChI=1S/C18H29BO2/c1-12-10-14(16(3,4)5)11-15(13(12)2)19-20-17(6,7)18(8,9)21-19/h10-11H,1-9H3
InChIKeyYRUIVVCESVFJHK-UHFFFAOYSA-N
MW288.24 g/mol
LogP3.90
Rot. Bonds1

About 2-(5-tert-butyl-2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(5-tert-butyl-2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 149413877) has the molecular formula C18H29BO2 and a molecular weight of 288.24 g/mol. Its IUPAC name is 2-(5-tert-butyl-2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(5-tert-butyl-2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID149413877
Molecular FormulaC18H29BO2
Molecular Weight288.24 g/mol
Exact Mass288.23
IUPAC Name2-(5-tert-butyl-2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCc1cc(C(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1C
InChIInChI=1S/C18H29BO2/c1-12-10-14(16(3,4)5)11-15(13(12)2)19-20-17(6,7)18(8,9)21-19/h10-11H,1-9H3
InChIKeyYRUIVVCESVFJHK-UHFFFAOYSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 53.90
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-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10762705
2-(3-methoxy-2,4,5-trimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 174139274
2-[2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 139189520
4,4,5,5-tetramethyl-2-[2,4,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 66897544
ethane;4,4,5,5-tetramethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
CID 144704237
2-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol
CID 70913706
2-(5-tert-butyl-3-propan-2-yl-2-prop-1-en-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 143986527
2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trideuteriomethyl)phenyl]propan-2-ol
CID 159584434
2-[5-[5-[2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,4-dimethylphenyl]-2,4-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162400731
2-[4-[4-(2-hydroxypropan-2-yl)-2,6-dimethylphenoxy]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol
CID 153294759
2-[2,5-dimethyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 169250167
tert-butyl-[2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane
CID 163353944

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(5-tert-butyl-2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 149413877) is 2-(5-tert-butyl-2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(5-tert-butyl-2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(5-tert-butyl-2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is Cc1cc(C(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1C.
What is the InChIKey of 2-(5-tert-butyl-2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is YRUIVVCESVFJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BO2/c1-12-10-14(16(3,4)5)11-15(13(12)2)19-20-17(6,7)18(8,9)21-19/h10-11H,1-9H3.
What are the key properties of 2-(5-tert-butyl-2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(5-tert-butyl-2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 288.24 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 149413877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).