2-(2-butan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H25BO3 — CID 79662122

IUPAC2-(2-butan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC(C)Oc1ccccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H25BO3/c1-7-12(2)18-14-11-9-8-10-13(14)17-19-15(3,4)16(5,6)20-17/h8-12H,7H2,1-6H3
InChIKeyYWXIADVACJUNGP-UHFFFAOYSA-N
MW276.19 g/mol
LogP3.16
Rot. Bonds4

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

2-(2-butan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 79662122) has the molecular formula C16H25BO3 and a molecular weight of 276.19 g/mol. Its IUPAC name is 2-(2-butan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2-butan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID79662122
Molecular FormulaC16H25BO3
Molecular Weight276.19 g/mol
Exact Mass276.19
IUPAC Name2-(2-butan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC(C)Oc1ccccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H25BO3/c1-7-12(2)18-14-11-9-8-10-13(14)17-19-15(3,4)16(5,6)20-17/h8-12H,7H2,1-6H3
InChIKeyYWXIADVACJUNGP-UHFFFAOYSA-N
XLogP3.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 53.16
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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy] propane-1-sulfonate
CID 175540561
(1R)-1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanamine
CID 99774998
bis(2-butan-2-yloxyphenoxy)-dihydroxysilane
CID 156762976
2-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]benzonitrile
CID 156594432
2-[4-(difluoromethyl)-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 86687755
1-[2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl-dimethylsilane
CID 135057487
[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
CID 53217104
2-(2-bromo-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 91800309
CID 24899129
CID 24899129
4,4,5,5-tetramethyl-2-(2-propan-2-ylsulfonylphenyl)-1,3,2-dioxaborolane
CID 127262602
2-(2-bromophenyl)-4,4,5,5-tetrakis(2-methylpropyl)-1,3,2-dioxaborolane
CID 177401957
2-[2-(2-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 103693435

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2-butan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 79662122) is 2-(2-butan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2-butan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2-butan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCC(C)Oc1ccccc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(2-butan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is YWXIADVACJUNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BO3/c1-7-12(2)18-14-11-9-8-10-13(14)17-19-15(3,4)16(5,6)20-17/h8-12H,7H2,1-6H3.
What are the key properties of 2-(2-butan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2-butan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 276.19 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 79662122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).