dipotassium;dioxido(2-phenylethoxy)borane

C8H9BK2O3 — CID 153409630

IUPACdipotassium;dioxido(2-phenylethoxy)borane
SMILES[K+].[K+].[O-]B([O-])OCCc1ccccc1
InChIInChI=1S/C8H9BO3.2K/c10-9(11)12-7-6-8-4-2-1-3-5-8;;/h1-5H,6-7H2;;/q-2;2*+1
InChIKeyOBDVHNPSAFWNED-UHFFFAOYSA-N
MW242.16 g/mol
LogP-7.04
Rot. Bonds4

About dipotassium;dioxido(2-phenylethoxy)borane

dipotassium;dioxido(2-phenylethoxy)borane (PubChem CID 153409630) has the molecular formula C8H9BK2O3 and a molecular weight of 242.16 g/mol. Its IUPAC name is dipotassium;dioxido(2-phenylethoxy)borane.

Molecular Properties

Compound Namedipotassium;dioxido(2-phenylethoxy)borane
PubChem CID153409630
Molecular FormulaC8H9BK2O3
Molecular Weight242.16 g/mol
Exact Mass241.99
IUPAC Namedipotassium;dioxido(2-phenylethoxy)borane
SMILES[K+].[K+].[O-]B([O-])OCCc1ccccc1
InChIInChI=1S/C8H9BO3.2K/c10-9(11)12-7-6-8-4-2-1-3-5-8;;/h1-5H,6-7H2;;/q-2;2*+1
InChIKeyOBDVHNPSAFWNED-UHFFFAOYSA-N
XLogP-7.04
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 5-7.04
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

phenyl(2-phenylethoxy)borinic acid
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2-methoxyethylbenzene
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benzene;2-phenylethylbenzene
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hafnium;2-phenylethylbenzene
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2-phenylethoxymethylidenetungsten
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dimethyl(2-phenylethoxy)phosphane
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2-phosphorosooxyethylbenzene
CID 23393054
CID 11412729
CID 11412729
4-phenylbutylbenzene
CID 141301927

Frequently Asked Questions

What is the IUPAC name of dipotassium;dioxido(2-phenylethoxy)borane?
The IUPAC name of dipotassium;dioxido(2-phenylethoxy)borane (CID 153409630) is dipotassium;dioxido(2-phenylethoxy)borane.
What is the SMILES notation for dipotassium;dioxido(2-phenylethoxy)borane?
The canonical SMILES for dipotassium;dioxido(2-phenylethoxy)borane is [K+].[K+].[O-]B([O-])OCCc1ccccc1.
What is the InChIKey of dipotassium;dioxido(2-phenylethoxy)borane?
The InChIKey is OBDVHNPSAFWNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BO3.2K/c10-9(11)12-7-6-8-4-2-1-3-5-8;;/h1-5H,6-7H2;;/q-2;2*+1.
What are the key properties of dipotassium;dioxido(2-phenylethoxy)borane?
dipotassium;dioxido(2-phenylethoxy)borane has a molecular weight of 242.16 g/mol, XLogP of -7.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;dioxido(2-phenylethoxy)borane is sourced from PubChem (CID 153409630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).