4,4,5,5-tetramethyl-2-[(E)-3-phenylmethoxyprop-1-enyl]-1,3,2-dioxaborolane

C16H23BO3 — CID 14141556

IUPAC4,4,5,5-tetramethyl-2-[(E)-3-phenylmethoxyprop-1-enyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C/COCc2ccccc2)OC1(C)C
InChIInChI=1S/C16H23BO3/c1-15(2)16(3,4)20-17(19-15)11-8-12-18-13-14-9-6-5-7-10-14/h5-11H,12-13H2,1-4H3/b11-8+
InChIKeyBTARFBQKFDEYQI-DHZHZOJOSA-N
MW274.17 g/mol
LogP3.39
Rot. Bonds5

About 4,4,5,5-tetramethyl-2-[(E)-3-phenylmethoxyprop-1-enyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(E)-3-phenylmethoxyprop-1-enyl]-1,3,2-dioxaborolane (PubChem CID 14141556) has the molecular formula C16H23BO3 and a molecular weight of 274.17 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(E)-3-phenylmethoxyprop-1-enyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(E)-3-phenylmethoxyprop-1-enyl]-1,3,2-dioxaborolane
PubChem CID14141556
Molecular FormulaC16H23BO3
Molecular Weight274.17 g/mol
Exact Mass274.17
IUPAC Name4,4,5,5-tetramethyl-2-[(E)-3-phenylmethoxyprop-1-enyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C/COCc2ccccc2)OC1(C)C
InChIInChI=1S/C16H23BO3/c1-15(2)16(3,4)20-17(19-15)11-8-12-18-13-14-9-6-5-7-10-14/h5-11H,12-13H2,1-4H3/b11-8+
InChIKeyBTARFBQKFDEYQI-DHZHZOJOSA-N
XLogP3.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-[(E)-3-phenylmethoxyprop-1-enyl]-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

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-3-phenylmethoxyprop-1-enyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-3-phenylmethoxyprop-1-enyl]-1,3,2-dioxaborolane (CID 14141556) is 4,4,5,5-tetramethyl-2-[(E)-3-phenylmethoxyprop-1-enyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(E)-3-phenylmethoxyprop-1-enyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(E)-3-phenylmethoxyprop-1-enyl]-1,3,2-dioxaborolane is CC1(C)OB(/C=C/COCc2ccccc2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(E)-3-phenylmethoxyprop-1-enyl]-1,3,2-dioxaborolane?
The InChIKey is BTARFBQKFDEYQI-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H23BO3/c1-15(2)16(3,4)20-17(19-15)11-8-12-18-13-14-9-6-5-7-10-14/h5-11H,12-13H2,1-4H3/b11-8+.
What are the key properties of 4,4,5,5-tetramethyl-2-[(E)-3-phenylmethoxyprop-1-enyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(E)-3-phenylmethoxyprop-1-enyl]-1,3,2-dioxaborolane has a molecular weight of 274.17 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(E)-3-phenylmethoxyprop-1-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 14141556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).