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

C15H23BO3 — CID 132609190

IUPAC4,4,5,5-tetramethyl-2-(1-phenylpropoxy)-1,3,2-dioxaborolane
SMILESCCC(OB1OC(C)(C)C(C)(C)O1)c1ccccc1
InChIInChI=1S/C15H23BO3/c1-6-13(12-10-8-7-9-11-12)17-16-18-14(2,3)15(4,5)19-16/h7-11,13H,6H2,1-5H3
InChIKeyMMTZFFFZTUMUTO-UHFFFAOYSA-N
MW262.16 g/mol
LogP3.74
Rot. Bonds4

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

4,4,5,5-tetramethyl-2-(1-phenylpropoxy)-1,3,2-dioxaborolane (PubChem CID 132609190) has the molecular formula C15H23BO3 and a molecular weight of 262.16 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(1-phenylpropoxy)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(1-phenylpropoxy)-1,3,2-dioxaborolane
PubChem CID132609190
Molecular FormulaC15H23BO3
Molecular Weight262.16 g/mol
Exact Mass262.17
IUPAC Name4,4,5,5-tetramethyl-2-(1-phenylpropoxy)-1,3,2-dioxaborolane
SMILESCCC(OB1OC(C)(C)C(C)(C)O1)c1ccccc1
InChIInChI=1S/C15H23BO3/c1-6-13(12-10-8-7-9-11-12)17-16-18-14(2,3)15(4,5)19-16/h7-11,13H,6H2,1-5H3
InChIKeyMMTZFFFZTUMUTO-UHFFFAOYSA-N
XLogP3.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.16
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-(1-phenylethoxy)-1,3,2-dioxaborolane
CID 102508609
4,4,5,5-tetramethyl-2-[(2R)-2-phenylbutyl]-1,3,2-dioxaborolane
CID 54597883
dimethyl-bis(1-phenylpropoxy)silane
CID 91741555
2-butan-2-yloxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 70947330
2-[(1S,2S)-2-deuterio-1-phenylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 139254233
2-(2,3-diphenylpentan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132567785
1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine
CID 132919216
1-(trifluoromethoxy)propylbenzene
CID 174717015
1-(1-phenylpropoxy)ethanethiol
CID 126486623
4,4,5,5-tetramethyl-2-[(E)-4-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]oxy-1,3,2-dioxaborolane
CID 177491949
2-[1-(4-bromophenyl)ethoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132609191
4,4,5,5-tetramethyl-2-[(1R)-1-phenyl-2,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 139203595

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(1-phenylpropoxy)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(1-phenylpropoxy)-1,3,2-dioxaborolane (CID 132609190) is 4,4,5,5-tetramethyl-2-(1-phenylpropoxy)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(1-phenylpropoxy)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(1-phenylpropoxy)-1,3,2-dioxaborolane is CCC(OB1OC(C)(C)C(C)(C)O1)c1ccccc1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(1-phenylpropoxy)-1,3,2-dioxaborolane?
The InChIKey is MMTZFFFZTUMUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BO3/c1-6-13(12-10-8-7-9-11-12)17-16-18-14(2,3)15(4,5)19-16/h7-11,13H,6H2,1-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(1-phenylpropoxy)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(1-phenylpropoxy)-1,3,2-dioxaborolane has a molecular weight of 262.16 g/mol, XLogP of 3.74, 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-(1-phenylpropoxy)-1,3,2-dioxaborolane is sourced from PubChem (CID 132609190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).