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

C14H21BO3 — CID 102508609

IUPAC4,4,5,5-tetramethyl-2-(1-phenylethoxy)-1,3,2-dioxaborolane
SMILESCC(OB1OC(C)(C)C(C)(C)O1)c1ccccc1
InChIInChI=1S/C14H21BO3/c1-11(12-9-7-6-8-10-12)16-15-17-13(2,3)14(4,5)18-15/h6-11H,1-5H3
InChIKeyJCKWWYNAYLSZIW-UHFFFAOYSA-N
MW248.13 g/mol
LogP3.35
Rot. Bonds3

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

4,4,5,5-tetramethyl-2-(1-phenylethoxy)-1,3,2-dioxaborolane (PubChem CID 102508609) has the molecular formula C14H21BO3 and a molecular weight of 248.13 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(1-phenylethoxy)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(1-phenylethoxy)-1,3,2-dioxaborolane
PubChem CID102508609
Molecular FormulaC14H21BO3
Molecular Weight248.13 g/mol
Exact Mass248.16
IUPAC Name4,4,5,5-tetramethyl-2-(1-phenylethoxy)-1,3,2-dioxaborolane
SMILESCC(OB1OC(C)(C)C(C)(C)O1)c1ccccc1
InChIInChI=1S/C14H21BO3/c1-11(12-9-7-6-8-10-12)16-15-17-13(2,3)14(4,5)18-15/h6-11H,1-5H3
InChIKeyJCKWWYNAYLSZIW-UHFFFAOYSA-N
XLogP3.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.13
LogP ≤ 53.35
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

2-[1-(4-bromophenyl)ethoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132609191
4,4,5,5-tetramethyl-2-(1-phenylpropoxy)-1,3,2-dioxaborolane
CID 132609190
N,N-bis(4-methoxyphenyl)-4-[1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]ethyl]aniline
CID 122213580
4,4,5,5-tetramethyl-2-[4-(1-phenylethoxy)phenyl]-1,3,2-dioxaborolane
CID 134686817
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
4,4,5,5-tetramethyl-2-[4-[2-(1-phenylethoxy)ethoxy]phenyl]-1,3,2-dioxaborolane
CID 113249657
[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane
CID 100993384
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
diphenyl-bis[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silane
CID 11048939
4,4,5,5-tetramethyl-2-[(1R)-1-(4-phenoxyphenyl)ethyl]-1,3,2-dioxaborolane
CID 171477859
(2R,3S)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 154718483
1-(disulfanyloxy)ethylbenzene
CID 139459005

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(1-phenylethoxy)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(1-phenylethoxy)-1,3,2-dioxaborolane (CID 102508609) is 4,4,5,5-tetramethyl-2-(1-phenylethoxy)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(1-phenylethoxy)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(1-phenylethoxy)-1,3,2-dioxaborolane is CC(OB1OC(C)(C)C(C)(C)O1)c1ccccc1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(1-phenylethoxy)-1,3,2-dioxaborolane?
The InChIKey is JCKWWYNAYLSZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BO3/c1-11(12-9-7-6-8-10-12)16-15-17-13(2,3)14(4,5)18-15/h6-11H,1-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(1-phenylethoxy)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(1-phenylethoxy)-1,3,2-dioxaborolane has a molecular weight of 248.13 g/mol, XLogP of 3.35, 3 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-phenylethoxy)-1,3,2-dioxaborolane is sourced from PubChem (CID 102508609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).