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

C15H21BO3 — CID 135073379

IUPAC4,4,5,5-tetramethyl-2-[(E)-2-phenylmethoxyethenyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C/OCc2ccccc2)OC1(C)C
InChIInChI=1S/C15H21BO3/c1-14(2)15(3,4)19-16(18-14)10-11-17-12-13-8-6-5-7-9-13/h5-11H,12H2,1-4H3/b11-10+
InChIKeyRMGVTNWEWJMAGB-ZHACJKMWSA-N
MW260.14 g/mol
LogP3.35
Rot. Bonds4

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

4,4,5,5-tetramethyl-2-[(E)-2-phenylmethoxyethenyl]-1,3,2-dioxaborolane (PubChem CID 135073379) has the molecular formula C15H21BO3 and a molecular weight of 260.14 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(E)-2-phenylmethoxyethenyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(E)-2-phenylmethoxyethenyl]-1,3,2-dioxaborolane
PubChem CID135073379
Molecular FormulaC15H21BO3
Molecular Weight260.14 g/mol
Exact Mass260.16
IUPAC Name4,4,5,5-tetramethyl-2-[(E)-2-phenylmethoxyethenyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C/OCc2ccccc2)OC1(C)C
InChIInChI=1S/C15H21BO3/c1-14(2)15(3,4)19-16(18-14)10-11-17-12-13-8-6-5-7-9-13/h5-11H,12H2,1-4H3/b11-10+
InChIKeyRMGVTNWEWJMAGB-ZHACJKMWSA-N
XLogP3.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Benzyl butyl ether
CID 61134
Benzyl methyl ether
CID 10869
2-Methyl-2-phenyloxirane
CID 16398
4-(Hydroxymethyl)benzeneboronic acid pinacol ester
CID 11402050
((Ethenyloxy)methyl)benzene
CID 11116115
Methyl cumyl ether
CID 70289
[(2-Methoxyethoxy)methyl]benzene
CID 35855
Benzyl tert-butyl ether
CID 561155
2-Ethyl-2-phenyloxirane
CID 10997195
Benzene, (1-ethoxyethenyl)-
CID 570407
Benzene, [(pentyloxy)methyl]-
CID 80800
Benzyl hexyl ether
CID 3587332

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-2-phenylmethoxyethenyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-2-phenylmethoxyethenyl]-1,3,2-dioxaborolane (CID 135073379) is 4,4,5,5-tetramethyl-2-[(E)-2-phenylmethoxyethenyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(E)-2-phenylmethoxyethenyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(E)-2-phenylmethoxyethenyl]-1,3,2-dioxaborolane is CC1(C)OB(/C=C/OCc2ccccc2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(E)-2-phenylmethoxyethenyl]-1,3,2-dioxaborolane?
The InChIKey is RMGVTNWEWJMAGB-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H21BO3/c1-14(2)15(3,4)19-16(18-14)10-11-17-12-13-8-6-5-7-9-13/h5-11H,12H2,1-4H3/b11-10+.
What are the key properties of 4,4,5,5-tetramethyl-2-[(E)-2-phenylmethoxyethenyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(E)-2-phenylmethoxyethenyl]-1,3,2-dioxaborolane has a molecular weight of 260.14 g/mol, XLogP of 3.35, 4 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)-2-phenylmethoxyethenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 135073379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).