propan-2-yloxy(thiophen-2-yl)borinic acid

C7H11BO2S — CID 67623300

IUPACpropan-2-yloxy(thiophen-2-yl)borinic acid
SMILESCC(C)OB(O)c1cccs1
InChIInChI=1S/C7H11BO2S/c1-6(2)10-8(9)7-4-3-5-11-7/h3-6,9H,1-2H3
InChIKeyXVWBVZWXPXTEIO-UHFFFAOYSA-N
MW170.04 g/mol
LogP0.86
Rot. Bonds3

About propan-2-yloxy(thiophen-2-yl)borinic acid

propan-2-yloxy(thiophen-2-yl)borinic acid (PubChem CID 67623300) has the molecular formula C7H11BO2S and a molecular weight of 170.04 g/mol. Its IUPAC name is propan-2-yloxy(thiophen-2-yl)borinic acid.

Molecular Properties

Compound Namepropan-2-yloxy(thiophen-2-yl)borinic acid
PubChem CID67623300
Molecular FormulaC7H11BO2S
Molecular Weight170.04 g/mol
Exact Mass170.06
IUPAC Namepropan-2-yloxy(thiophen-2-yl)borinic acid
SMILESCC(C)OB(O)c1cccs1
InChIInChI=1S/C7H11BO2S/c1-6(2)10-8(9)7-4-3-5-11-7/h3-6,9H,1-2H3
InChIKeyXVWBVZWXPXTEIO-UHFFFAOYSA-N
XLogP0.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.04
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yloxy(dithiophen-2-yl)borane
CID 11436286
2-hydroxyethoxy(thiophen-2-yl)borinic acid
CID 66918159
methyl-di(propan-2-yloxy)-thiophen-2-ylsilane
CID 142755646
2-propan-2-ylthiophene
CID 178128598
N-(2-methyl-1-thiophen-2-ylpropyl)hydroxylamine
CID 82685515
ethoxy-methoxy-thiophen-2-ylborane
CID 140963411
thiophen-2-ol
CID 10909502
potassium 2-propan-2-yloxy-2-thiophen-2-ylacetate
CID 166597544
thiophen-2-yl-bis(2,4,6-trimethylphenyl)borane
CID 70189705
2-(4-propan-2-yloxyphenyl)thiophene
CID 18387785
methyl 2-thiophen-2-ylpropanoate
CID 12819459
3-methoxy-1-thiophen-2-ylbutan-2-one
CID 79616178

Frequently Asked Questions

What is the IUPAC name of propan-2-yloxy(thiophen-2-yl)borinic acid?
The IUPAC name of propan-2-yloxy(thiophen-2-yl)borinic acid (CID 67623300) is propan-2-yloxy(thiophen-2-yl)borinic acid.
What is the SMILES notation for propan-2-yloxy(thiophen-2-yl)borinic acid?
The canonical SMILES for propan-2-yloxy(thiophen-2-yl)borinic acid is CC(C)OB(O)c1cccs1.
What is the InChIKey of propan-2-yloxy(thiophen-2-yl)borinic acid?
The InChIKey is XVWBVZWXPXTEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BO2S/c1-6(2)10-8(9)7-4-3-5-11-7/h3-6,9H,1-2H3.
What are the key properties of propan-2-yloxy(thiophen-2-yl)borinic acid?
propan-2-yloxy(thiophen-2-yl)borinic acid has a molecular weight of 170.04 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yloxy(thiophen-2-yl)borinic acid is sourced from PubChem (CID 67623300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).