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

C15H23BO2 — CID 15605871

IUPAC4,4,5,5-tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(CCCc2ccccc2)OC1(C)C
InChIInChI=1S/C15H23BO2/c1-14(2)15(3,4)18-16(17-14)12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,8,11-12H2,1-4H3
InChIKeyHRZOKAQQKKQUME-UHFFFAOYSA-N
MW246.16 g/mol
LogP3.71
Rot. Bonds4

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

4,4,5,5-tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane (PubChem CID 15605871) has the molecular formula C15H23BO2 and a molecular weight of 246.16 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane
PubChem CID15605871
Molecular FormulaC15H23BO2
Molecular Weight246.16 g/mol
Exact Mass246.18
IUPAC Name4,4,5,5-tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(CCCc2ccccc2)OC1(C)C
InChIInChI=1S/C15H23BO2/c1-14(2)15(3,4)18-16(17-14)12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,8,11-12H2,1-4H3
InChIKeyHRZOKAQQKKQUME-UHFFFAOYSA-N
XLogP3.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.16
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(3-phenylpropyl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane (CID 15605871) is 4,4,5,5-tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane is CC1(C)OB(CCCc2ccccc2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane?
The InChIKey is HRZOKAQQKKQUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BO2/c1-14(2)15(3,4)18-16(17-14)12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,8,11-12H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane has a molecular weight of 246.16 g/mol, XLogP of 3.71, 4 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-phenylpropyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 15605871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).