potassium heptan-2-olate

C7H15KO — CID 165147938

IUPACpotassium heptan-2-olate
SMILESCCCCCC(C)[O-].[K+]
InChIInChI=1S/C7H15O.K/c1-3-4-5-6-7(2)8;/h7H,3-6H2,1-2H3;/q-1;+1
InChIKeyUSMVOOKRJZCEMN-UHFFFAOYSA-N
MW154.29 g/mol
LogP-1.68
Rot. Bonds4

About potassium heptan-2-olate

potassium heptan-2-olate (PubChem CID 165147938) has the molecular formula C7H15KO and a molecular weight of 154.29 g/mol. Its IUPAC name is potassium heptan-2-olate.

Molecular Properties

Compound Namepotassium heptan-2-olate
PubChem CID165147938
Molecular FormulaC7H15KO
Molecular Weight154.29 g/mol
Exact Mass154.08
IUPAC Namepotassium heptan-2-olate
SMILESCCCCCC(C)[O-].[K+]
InChIInChI=1S/C7H15O.K/c1-3-4-5-6-7(2)8;/h7H,3-6H2,1-2H3;/q-1;+1
InChIKeyUSMVOOKRJZCEMN-UHFFFAOYSA-N
XLogP-1.68
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.29
LogP ≤ 5-1.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

sodium nonan-2-olate
CID 23695654
lithium hexan-2-olate
CID 141423009
aluminum;hexane;tris(propan-2-olate)
CID 173368889
tetrakis(octan-3-olate);titanium(4+)
CID 22250648
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
bis(2-methylheptane);propane
CID 158714851
2-methyltetratriacontane
CID 14275207
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392
15-methylhentriacontane
CID 6430031
11,12-dimethyloctacosane
CID 23345853

Frequently Asked Questions

What is the IUPAC name of potassium heptan-2-olate?
The IUPAC name of potassium heptan-2-olate (CID 165147938) is potassium heptan-2-olate.
What is the SMILES notation for potassium heptan-2-olate?
The canonical SMILES for potassium heptan-2-olate is CCCCCC(C)[O-].[K+].
What is the InChIKey of potassium heptan-2-olate?
The InChIKey is USMVOOKRJZCEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O.K/c1-3-4-5-6-7(2)8;/h7H,3-6H2,1-2H3;/q-1;+1.
What are the key properties of potassium heptan-2-olate?
potassium heptan-2-olate has a molecular weight of 154.29 g/mol, XLogP of -1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium heptan-2-olate is sourced from PubChem (CID 165147938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).