2-[2-(2-methoxyethoxy)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H25BO4 — CID 79662747

IUPAC2-[2-(2-methoxyethoxy)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCCOc1ccc(C)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H25BO4/c1-12-7-8-14(19-10-9-18-6)13(11-12)17-20-15(2,3)16(4,5)21-17/h7-8,11H,9-10H2,1-6H3
InChIKeyJOVAYNHTOMESEK-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.32
Rot. Bonds5

About 2-[2-(2-methoxyethoxy)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[2-(2-methoxyethoxy)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 79662747) has the molecular formula C16H25BO4 and a molecular weight of 292.18 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID79662747
Molecular FormulaC16H25BO4
Molecular Weight292.18 g/mol
Exact Mass292.18
IUPAC Name2-[2-(2-methoxyethoxy)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCCOc1ccc(C)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H25BO4/c1-12-7-8-14(19-10-9-18-6)13(11-12)17-20-15(2,3)16(4,5)21-17/h7-8,11H,9-10H2,1-6H3
InChIKeyJOVAYNHTOMESEK-UHFFFAOYSA-N
XLogP2.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-(5-methyl-2-prop-2-enoxyphenyl)-1,3,2-dioxaborolane
CID 79661473
ethane;2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 142513343
2-(2-methoxyethoxy)-5-methylphenol
CID 89108915
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
1-(2-methoxyethoxy)-4-methyl-2-methylsulfonylbenzene
CID 58551231
2-methoxy-3-(2-methoxyethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 154897683
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 163375726
2-[2,5-didodecoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 69080329
4,4,5,5-tetramethyl-2-(4-methyl-2-phenylmethoxyphenyl)-1,3,2-dioxaborolane
CID 138987086
2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66652582
2-[4-(methoxymethoxy)-6-methylnaphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170902239
2-[5-fluoro-2-(3-phenylpropoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 113249391

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[2-(2-methoxyethoxy)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 79662747) is 2-[2-(2-methoxyethoxy)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[2-(2-methoxyethoxy)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COCCOc1ccc(C)cc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is JOVAYNHTOMESEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BO4/c1-12-7-8-14(19-10-9-18-6)13(11-12)17-20-15(2,3)16(4,5)21-17/h7-8,11H,9-10H2,1-6H3.
What are the key properties of 2-[2-(2-methoxyethoxy)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[2-(2-methoxyethoxy)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 292.18 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 79662747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).