potassium pent-4-en-2-olate

C5H9KO — CID 143030421

IUPACpotassium pent-4-en-2-olate
SMILESC=CCC(C)[O-].[K+]
InChIInChI=1S/C5H9O.K/c1-3-4-5(2)6;/h3,5H,1,4H2,2H3;/q-1;+1
InChIKeyKNKZJKNBHFEHEX-UHFFFAOYSA-N
MW124.22 g/mol
LogP-2.68
Rot. Bonds2

About potassium pent-4-en-2-olate

potassium pent-4-en-2-olate (PubChem CID 143030421) has the molecular formula C5H9KO and a molecular weight of 124.22 g/mol. Its IUPAC name is potassium pent-4-en-2-olate.

Molecular Properties

Compound Namepotassium pent-4-en-2-olate
PubChem CID143030421
Molecular FormulaC5H9KO
Molecular Weight124.22 g/mol
Exact Mass124.03
IUPAC Namepotassium pent-4-en-2-olate
SMILESC=CCC(C)[O-].[K+]
InChIInChI=1S/C5H9O.K/c1-3-4-5(2)6;/h3,5H,1,4H2,2H3;/q-1;+1
InChIKeyKNKZJKNBHFEHEX-UHFFFAOYSA-N
XLogP-2.68
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.22
LogP ≤ 5-2.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tris(pent-4-en-2-olate)
CID 19693588
4-propan-2-ylhepta-1,6-diene
CID 14140894
4-iodopent-1-ene
CID 13244562
(4S)-4-iodopent-1-ene
CID 88562936
dimethyl(pent-4-en-2-yl)silane
CID 173322975
hexa-1,5-dien-3-olate
CID 101095679
(4R)-4-propan-2-ylocta-1,7-diene
CID 59911119
azane;pent-4-en-2-ol
CID 22149561
but-1-ene;4-methylpent-1-ene
CID 23001909
pent-4-ene-2-sulfonyl chloride
CID 165486149
(2R)-2-methylpent-4-enal;(2S)-2-methylpent-4-enal
CID 159356826
N-pent-4-en-2-ylmethanimine
CID 123777591

Frequently Asked Questions

What is the IUPAC name of potassium pent-4-en-2-olate?
The IUPAC name of potassium pent-4-en-2-olate (CID 143030421) is potassium pent-4-en-2-olate.
What is the SMILES notation for potassium pent-4-en-2-olate?
The canonical SMILES for potassium pent-4-en-2-olate is C=CCC(C)[O-].[K+].
What is the InChIKey of potassium pent-4-en-2-olate?
The InChIKey is KNKZJKNBHFEHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O.K/c1-3-4-5(2)6;/h3,5H,1,4H2,2H3;/q-1;+1.
What are the key properties of potassium pent-4-en-2-olate?
potassium pent-4-en-2-olate has a molecular weight of 124.22 g/mol, XLogP of -2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium pent-4-en-2-olate is sourced from PubChem (CID 143030421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).