4,4,5,5-tetramethyl-2-(4-propylphenyl)-1,3,2-dioxaborolane

C15H23BO2 — CID 57399970

IUPAC4,4,5,5-tetramethyl-2-(4-propylphenyl)-1,3,2-dioxaborolane
SMILESCCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C15H23BO2/c1-6-7-12-8-10-13(11-9-12)16-17-14(2,3)15(4,5)18-16/h8-11H,6-7H2,1-5H3
InChIKeyWQUCCSKISHNGKO-UHFFFAOYSA-N
MW246.16 g/mol
LogP2.94
Rot. Bonds3

About 4,4,5,5-tetramethyl-2-(4-propylphenyl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(4-propylphenyl)-1,3,2-dioxaborolane (PubChem CID 57399970) has the molecular formula C15H23BO2 and a molecular weight of 246.16 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(4-propylphenyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(4-propylphenyl)-1,3,2-dioxaborolane
PubChem CID57399970
Molecular FormulaC15H23BO2
Molecular Weight246.16 g/mol
Exact Mass246.18
IUPAC Name4,4,5,5-tetramethyl-2-(4-propylphenyl)-1,3,2-dioxaborolane
SMILESCCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C15H23BO2/c1-6-7-12-8-10-13(11-9-12)16-17-14(2,3)15(4,5)18-16/h8-11H,6-7H2,1-5H3
InChIKeyWQUCCSKISHNGKO-UHFFFAOYSA-N
XLogP2.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.16
LogP ≤ 52.94
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

B-(4-Nonylphenyl)boronic acid
CID 4589192
Boronic acid, (4-ethylphenyl)-
CID 2734352
4-Butylphenylboronic acid
CID 4100860
2-(4-Biphenylyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11989651
4,4,5,5-tetramethyl-2-((E)-2-phenylethenyl)-1,3,2-dioxaborolane
CID 5708413
(4-heptylphenyl)boronic Acid
CID 4197991
(4-Pentylphenyl)boronic acid
CID 4589191
2-Phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine
CID 13168364
4,4,5,5-Tetramethyl-2-(4-nonylphenyl)-1,3,2-dioxaborolane
CID 57391611
(4-Propylphenyl)boronic acid
CID 4100861
2-(4'-Fluoro-[1,1'-biphenyl]-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57396519
(E)-2-(2,4-Difluorostyryl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 16218154

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(4-propylphenyl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(4-propylphenyl)-1,3,2-dioxaborolane (CID 57399970) is 4,4,5,5-tetramethyl-2-(4-propylphenyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(4-propylphenyl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(4-propylphenyl)-1,3,2-dioxaborolane is CCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(4-propylphenyl)-1,3,2-dioxaborolane?
The InChIKey is WQUCCSKISHNGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BO2/c1-6-7-12-8-10-13(11-9-12)16-17-14(2,3)15(4,5)18-16/h8-11H,6-7H2,1-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(4-propylphenyl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(4-propylphenyl)-1,3,2-dioxaborolane has a molecular weight of 246.16 g/mol, XLogP of 2.94, 3 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-(4-propylphenyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 57399970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).