potassium triethyl-(6-methylcyclohexen-1-yl)oxyboranuide

C13H26BKO — CID 23712594

IUPACpotassium triethyl-(6-methylcyclohexen-1-yl)oxyboranuide
SMILESCC[B-](CC)(CC)OC1=CCCCC1C.[K+]
InChIInChI=1S/C13H26BO.K/c1-5-14(6-2,7-3)15-13-11-9-8-10-12(13)4;/h11-12H,5-10H2,1-4H3;/q-1;+1
InChIKeyQRWDRLPXEUQCBM-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.72
Rot. Bonds5

About potassium triethyl-(6-methylcyclohexen-1-yl)oxyboranuide

potassium triethyl-(6-methylcyclohexen-1-yl)oxyboranuide (PubChem CID 23712594) has the molecular formula C13H26BKO and a molecular weight of 248.26 g/mol. Its IUPAC name is potassium triethyl-(6-methylcyclohexen-1-yl)oxyboranuide.

Molecular Properties

Compound Namepotassium triethyl-(6-methylcyclohexen-1-yl)oxyboranuide
PubChem CID23712594
Molecular FormulaC13H26BKO
Molecular Weight248.26 g/mol
Exact Mass248.17
IUPAC Namepotassium triethyl-(6-methylcyclohexen-1-yl)oxyboranuide
SMILESCC[B-](CC)(CC)OC1=CCCCC1C.[K+]
InChIInChI=1S/C13H26BO.K/c1-5-14(6-2,7-3)15-13-11-9-8-10-12(13)4;/h11-12H,5-10H2,1-4H3;/q-1;+1
InChIKeyQRWDRLPXEUQCBM-UHFFFAOYSA-N
XLogP1.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 potassium triethyl-(6-methylcyclohexen-1-yl)oxyboranuide?
The IUPAC name of potassium triethyl-(6-methylcyclohexen-1-yl)oxyboranuide (CID 23712594) is potassium triethyl-(6-methylcyclohexen-1-yl)oxyboranuide.
What is the SMILES notation for potassium triethyl-(6-methylcyclohexen-1-yl)oxyboranuide?
The canonical SMILES for potassium triethyl-(6-methylcyclohexen-1-yl)oxyboranuide is CC[B-](CC)(CC)OC1=CCCCC1C.[K+].
What is the InChIKey of potassium triethyl-(6-methylcyclohexen-1-yl)oxyboranuide?
The InChIKey is QRWDRLPXEUQCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BO.K/c1-5-14(6-2,7-3)15-13-11-9-8-10-12(13)4;/h11-12H,5-10H2,1-4H3;/q-1;+1.
What are the key properties of potassium triethyl-(6-methylcyclohexen-1-yl)oxyboranuide?
potassium triethyl-(6-methylcyclohexen-1-yl)oxyboranuide has a molecular weight of 248.26 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium triethyl-(6-methylcyclohexen-1-yl)oxyboranuide is sourced from PubChem (CID 23712594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).