potassium hexa-1,3-dien-1-olate

C6H9KO — CID 174609870

IUPACpotassium hexa-1,3-dien-1-olate
SMILESCCC=CC=C[O-].[K+]
InChIInChI=1S/C6H10O.K/c1-2-3-4-5-6-7;/h3-7H,2H2,1H3;/q;+1/p-1
InChIKeyPMPRMIAXUQZJEE-UHFFFAOYSA-M
MW136.23 g/mol
LogP-2.17
Rot. Bonds2

About potassium hexa-1,3-dien-1-olate

potassium hexa-1,3-dien-1-olate (PubChem CID 174609870) has the molecular formula C6H9KO and a molecular weight of 136.23 g/mol. Its IUPAC name is potassium hexa-1,3-dien-1-olate.

Molecular Properties

Compound Namepotassium hexa-1,3-dien-1-olate
PubChem CID174609870
Molecular FormulaC6H9KO
Molecular Weight136.23 g/mol
Exact Mass136.03
IUPAC Namepotassium hexa-1,3-dien-1-olate
SMILESCCC=CC=C[O-].[K+]
InChIInChI=1S/C6H10O.K/c1-2-3-4-5-6-7;/h3-7H,2H2,1H3;/q;+1/p-1
InChIKeyPMPRMIAXUQZJEE-UHFFFAOYSA-M
XLogP-2.17
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.23
LogP ≤ 5-2.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5E)-octa-3,5-diene
CID 173104147
potassium but-1-en-1-olate
CID 141006026
ethane;(3Z,5Z)-octa-3,5-diene
CID 142104932
deca-1,3,5,7-tetraene
CID 54238998
icosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91364807
(3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 173025188
docosa-1,3,5,7,9,11,13,15,17,19-decaene
CID 91543808
1-methoxydodeca-1,3,5,7,9-pentaene
CID 71335564
(1E,3Z,5E)-1-chloroocta-1,3,5-triene
CID 142113042
ethane;(2Z,4Z,6Z)-nona-2,4,6-triene
CID 142106659
N-methylhepta-2,4-dien-1-amine
CID 54531369
(3E,5E,7E,11E)-tetradeca-3,5,7,11-tetraene
CID 173380885

Frequently Asked Questions

What is the IUPAC name of potassium hexa-1,3-dien-1-olate?
The IUPAC name of potassium hexa-1,3-dien-1-olate (CID 174609870) is potassium hexa-1,3-dien-1-olate.
What is the SMILES notation for potassium hexa-1,3-dien-1-olate?
The canonical SMILES for potassium hexa-1,3-dien-1-olate is CCC=CC=C[O-].[K+].
What is the InChIKey of potassium hexa-1,3-dien-1-olate?
The InChIKey is PMPRMIAXUQZJEE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10O.K/c1-2-3-4-5-6-7;/h3-7H,2H2,1H3;/q;+1/p-1.
What are the key properties of potassium hexa-1,3-dien-1-olate?
potassium hexa-1,3-dien-1-olate has a molecular weight of 136.23 g/mol, XLogP of -2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium hexa-1,3-dien-1-olate is sourced from PubChem (CID 174609870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).