propan-2-yloxy(dithiophen-2-yl)borane

C11H13BOS2 — CID 11436286

IUPACpropan-2-yloxy(dithiophen-2-yl)borane
SMILESCC(C)OB(c1cccs1)c1cccs1
InChIInChI=1S/C11H13BOS2/c1-9(2)13-12(10-5-3-7-14-10)11-6-4-8-15-11/h3-9H,1-2H3
InChIKeyXDWZWVXAWXJTAM-UHFFFAOYSA-N
MW236.17 g/mol
LogP2.34
Rot. Bonds4

About propan-2-yloxy(dithiophen-2-yl)borane

propan-2-yloxy(dithiophen-2-yl)borane (PubChem CID 11436286) has the molecular formula C11H13BOS2 and a molecular weight of 236.17 g/mol. Its IUPAC name is propan-2-yloxy(dithiophen-2-yl)borane.

Molecular Properties

Compound Namepropan-2-yloxy(dithiophen-2-yl)borane
PubChem CID11436286
Molecular FormulaC11H13BOS2
Molecular Weight236.17 g/mol
Exact Mass236.05
IUPAC Namepropan-2-yloxy(dithiophen-2-yl)borane
SMILESCC(C)OB(c1cccs1)c1cccs1
InChIInChI=1S/C11H13BOS2/c1-9(2)13-12(10-5-3-7-14-10)11-6-4-8-15-11/h3-9H,1-2H3
InChIKeyXDWZWVXAWXJTAM-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.17
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 propan-2-yloxy(dithiophen-2-yl)borane?
The IUPAC name of propan-2-yloxy(dithiophen-2-yl)borane (CID 11436286) is propan-2-yloxy(dithiophen-2-yl)borane.
What is the SMILES notation for propan-2-yloxy(dithiophen-2-yl)borane?
The canonical SMILES for propan-2-yloxy(dithiophen-2-yl)borane is CC(C)OB(c1cccs1)c1cccs1.
What is the InChIKey of propan-2-yloxy(dithiophen-2-yl)borane?
The InChIKey is XDWZWVXAWXJTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BOS2/c1-9(2)13-12(10-5-3-7-14-10)11-6-4-8-15-11/h3-9H,1-2H3.
What are the key properties of propan-2-yloxy(dithiophen-2-yl)borane?
propan-2-yloxy(dithiophen-2-yl)borane has a molecular weight of 236.17 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yloxy(dithiophen-2-yl)borane is sourced from PubChem (CID 11436286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).