potassium;2-methylpropan-2-olate;spiro[2.5]octane-8-carbonitrile

C13H22KNO — CID 161308214

IUPACpotassium;2-methylpropan-2-olate;spiro[2.5]octane-8-carbonitrile
SMILESCC(C)(C)[O-].N#CC1CCCCC12CC2.[K+]
InChIInChI=1S/C9H13N.C4H9O.K/c10-7-8-3-1-2-4-9(8)5-6-9;1-4(2,3)5;/h8H,1-6H2;1-3H3;/q;-1;+1
InChIKeyGZCUSYKLAZCPHY-UHFFFAOYSA-N
MW247.42 g/mol
LogP-0.37
Rot. Bonds

About potassium;2-methylpropan-2-olate;spiro[2.5]octane-8-carbonitrile

potassium;2-methylpropan-2-olate;spiro[2.5]octane-8-carbonitrile (PubChem CID 161308214) has the molecular formula C13H22KNO and a molecular weight of 247.42 g/mol. Its IUPAC name is potassium;2-methylpropan-2-olate;spiro[2.5]octane-8-carbonitrile.

Molecular Properties

Compound Namepotassium;2-methylpropan-2-olate;spiro[2.5]octane-8-carbonitrile
PubChem CID161308214
Molecular FormulaC13H22KNO
Molecular Weight247.42 g/mol
Exact Mass247.13
IUPAC Namepotassium;2-methylpropan-2-olate;spiro[2.5]octane-8-carbonitrile
SMILESCC(C)(C)[O-].N#CC1CCCCC12CC2.[K+]
InChIInChI=1S/C9H13N.C4H9O.K/c10-7-8-3-1-2-4-9(8)5-6-9;1-4(2,3)5;/h8H,1-6H2;1-3H3;/q;-1;+1
InChIKeyGZCUSYKLAZCPHY-UHFFFAOYSA-N
XLogP-0.37
TPSA46.85 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.42
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of potassium;2-methylpropan-2-olate;spiro[2.5]octane-8-carbonitrile?
The IUPAC name of potassium;2-methylpropan-2-olate;spiro[2.5]octane-8-carbonitrile (CID 161308214) is potassium;2-methylpropan-2-olate;spiro[2.5]octane-8-carbonitrile.
What is the SMILES notation for potassium;2-methylpropan-2-olate;spiro[2.5]octane-8-carbonitrile?
The canonical SMILES for potassium;2-methylpropan-2-olate;spiro[2.5]octane-8-carbonitrile is CC(C)(C)[O-].N#CC1CCCCC12CC2.[K+].
What is the InChIKey of potassium;2-methylpropan-2-olate;spiro[2.5]octane-8-carbonitrile?
The InChIKey is GZCUSYKLAZCPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C4H9O.K/c10-7-8-3-1-2-4-9(8)5-6-9;1-4(2,3)5;/h8H,1-6H2;1-3H3;/q;-1;+1.
What are the key properties of potassium;2-methylpropan-2-olate;spiro[2.5]octane-8-carbonitrile?
potassium;2-methylpropan-2-olate;spiro[2.5]octane-8-carbonitrile has a molecular weight of 247.42 g/mol, XLogP of -0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-methylpropan-2-olate;spiro[2.5]octane-8-carbonitrile is sourced from PubChem (CID 161308214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).