potassium heptan-3-olate

C7H15KO — CID 140992163

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

About potassium heptan-3-olate

potassium heptan-3-olate (PubChem CID 140992163) has the molecular formula C7H15KO and a molecular weight of 154.29 g/mol. Its IUPAC name is potassium heptan-3-olate.

Molecular Properties

Compound Namepotassium heptan-3-olate
PubChem CID140992163
Molecular FormulaC7H15KO
Molecular Weight154.29 g/mol
Exact Mass154.08
IUPAC Namepotassium heptan-3-olate
SMILESCCCCC([O-])CC.[K+]
InChIInChI=1S/C7H15O.K/c1-3-5-6-7(8)4-2;/h7H,3-6H2,1-2H3;/q-1;+1
InChIKeyDRXLPCNHRAXGRO-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

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Related Compounds

tetrakis(octan-3-olate);titanium(4+)
CID 22250648
tetrakis(nonan-5-olate);tin(4+)
CID 160574109
tetrakis(hexan-3-olate);zirconium(4+)
CID 161428772
tetrakis(hexan-3-olate);titanium(4+)
CID 158546387
lithium hexan-2-olate
CID 141423009
dibutyl-ethyl-methylphosphanium
CID 58444360
tributyl(methyl)phosphanium iodate
CID 158924304
potassium heptan-2-olate
CID 165147938
dilithium;(3R)-undecan-3-olate
CID 134905430
sodium 1-aminododecan-2-olate
CID 88793038
tributyl(ethyl)phosphanium;yttrium
CID 157495061
2-ethylhexylazanium hydroxide
CID 23510548

Frequently Asked Questions

What is the IUPAC name of potassium heptan-3-olate?
The IUPAC name of potassium heptan-3-olate (CID 140992163) is potassium heptan-3-olate.
What is the SMILES notation for potassium heptan-3-olate?
The canonical SMILES for potassium heptan-3-olate is CCCCC([O-])CC.[K+].
What is the InChIKey of potassium heptan-3-olate?
The InChIKey is DRXLPCNHRAXGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O.K/c1-3-5-6-7(8)4-2;/h7H,3-6H2,1-2H3;/q-1;+1.
What are the key properties of potassium heptan-3-olate?
potassium heptan-3-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-3-olate is sourced from PubChem (CID 140992163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).