potassium;6-methylcyclohexen-1-olate;triethylborane

C13H26BKO — CID 23685819

IUPACpotassium;6-methylcyclohexen-1-olate;triethylborane
SMILESCC1CCCC=C1[O-].CCB(CC)CC.[K+]
InChIInChI=1S/C7H12O.C6H15B.K/c1-6-4-2-3-5-7(6)8;1-4-7(5-2)6-3;/h5-6,8H,2-4H2,1H3;4-6H2,1-3H3;/q;;+1/p-1
InChIKeyPHYZKXYPAWJACW-UHFFFAOYSA-M
MW248.26 g/mol
LogP0.60
Rot. Bonds3

About potassium;6-methylcyclohexen-1-olate;triethylborane

potassium;6-methylcyclohexen-1-olate;triethylborane (PubChem CID 23685819) has the molecular formula C13H26BKO and a molecular weight of 248.26 g/mol. Its IUPAC name is potassium;6-methylcyclohexen-1-olate;triethylborane.

Molecular Properties

Compound Namepotassium;6-methylcyclohexen-1-olate;triethylborane
PubChem CID23685819
Molecular FormulaC13H26BKO
Molecular Weight248.26 g/mol
Exact Mass248.17
IUPAC Namepotassium;6-methylcyclohexen-1-olate;triethylborane
SMILESCC1CCCC=C1[O-].CCB(CC)CC.[K+]
InChIInChI=1S/C7H12O.C6H15B.K/c1-6-4-2-3-5-7(6)8;1-4-7(5-2)6-3;/h5-6,8H,2-4H2,1H3;4-6H2,1-3H3;/q;;+1/p-1
InChIKeyPHYZKXYPAWJACW-UHFFFAOYSA-M
XLogP0.60
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 50.60
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;6-methylcyclohexen-1-olate;triethylborane?
The IUPAC name of potassium;6-methylcyclohexen-1-olate;triethylborane (CID 23685819) is potassium;6-methylcyclohexen-1-olate;triethylborane.
What is the SMILES notation for potassium;6-methylcyclohexen-1-olate;triethylborane?
The canonical SMILES for potassium;6-methylcyclohexen-1-olate;triethylborane is CC1CCCC=C1[O-].CCB(CC)CC.[K+].
What is the InChIKey of potassium;6-methylcyclohexen-1-olate;triethylborane?
The InChIKey is PHYZKXYPAWJACW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12O.C6H15B.K/c1-6-4-2-3-5-7(6)8;1-4-7(5-2)6-3;/h5-6,8H,2-4H2,1H3;4-6H2,1-3H3;/q;;+1/p-1.
What are the key properties of potassium;6-methylcyclohexen-1-olate;triethylborane?
potassium;6-methylcyclohexen-1-olate;triethylborane has a molecular weight of 248.26 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;6-methylcyclohexen-1-olate;triethylborane is sourced from PubChem (CID 23685819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).