[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanol

C11H17BO3S — CID 51358266

IUPAC[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanol
SMILESCC1(C)OB(c2ccc(CO)s2)OC1(C)C
InChIInChI=1S/C11H17BO3S/c1-10(2)11(3,4)15-12(14-10)9-6-5-8(7-13)16-9/h5-6,13H,7H2,1-4H3
InChIKeyKWUMGVAXLIZGJS-UHFFFAOYSA-N
MW240.13 g/mol
LogP1.54
Rot. Bonds2

About [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanol

[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanol (PubChem CID 51358266) has the molecular formula C11H17BO3S and a molecular weight of 240.13 g/mol. Its IUPAC name is [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanol
PubChem CID51358266
Molecular FormulaC11H17BO3S
Molecular Weight240.13 g/mol
Exact Mass240.10
IUPAC Name[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanol
SMILESCC1(C)OB(c2ccc(CO)s2)OC1(C)C
InChIInChI=1S/C11H17BO3S/c1-10(2)11(3,4)15-12(14-10)9-6-5-8(7-13)16-9/h5-6,13H,7H2,1-4H3
InChIKeyKWUMGVAXLIZGJS-UHFFFAOYSA-N
XLogP1.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanol?
The IUPAC name of [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanol (CID 51358266) is [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanol.
What is the SMILES notation for [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanol?
The canonical SMILES for [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanol is CC1(C)OB(c2ccc(CO)s2)OC1(C)C.
What is the InChIKey of [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanol?
The InChIKey is KWUMGVAXLIZGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BO3S/c1-10(2)11(3,4)15-12(14-10)9-6-5-8(7-13)16-9/h5-6,13H,7H2,1-4H3.
What are the key properties of [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanol?
[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanol has a molecular weight of 240.13 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanol is sourced from PubChem (CID 51358266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).