potassium;hydride;methyl (2E,4E)-hexa-2,4-dienoate

C7H11KO2 — CID 173249378

IUPACpotassium;hydride;methyl (2E,4E)-hexa-2,4-dienoate
SMILESC/C=C/C=C/C(=O)OC.[H-].[K+]
InChIInChI=1S/C7H10O2.K.H/c1-3-4-5-6-7(8)9-2;;/h3-6H,1-2H3;;/q;+1;-1/b4-3+,6-5+;;
InChIKeyLXPBOZGLUJIWCV-LXFXVGTCSA-N
MW166.26 g/mol
LogP-1.59
Rot. Bonds2

About potassium;hydride;methyl (2E,4E)-hexa-2,4-dienoate

potassium;hydride;methyl (2E,4E)-hexa-2,4-dienoate (PubChem CID 173249378) has the molecular formula C7H11KO2 and a molecular weight of 166.26 g/mol. Its IUPAC name is potassium;hydride;methyl (2E,4E)-hexa-2,4-dienoate.

Molecular Properties

Compound Namepotassium;hydride;methyl (2E,4E)-hexa-2,4-dienoate
PubChem CID173249378
Molecular FormulaC7H11KO2
Molecular Weight166.26 g/mol
Exact Mass166.04
IUPAC Namepotassium;hydride;methyl (2E,4E)-hexa-2,4-dienoate
SMILESC/C=C/C=C/C(=O)OC.[H-].[K+]
InChIInChI=1S/C7H10O2.K.H/c1-3-4-5-6-7(8)9-2;;/h3-6H,1-2H3;;/q;+1;-1/b4-3+,6-5+;;
InChIKeyLXPBOZGLUJIWCV-LXFXVGTCSA-N
XLogP-1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 5-1.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

dimethyl octa-2,4,6-trienedioate
CID 5250542
methyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate
CID 139599901
potassium;sodium;[(2E,4E)-hexa-2,4-dienoyl] (2E,4E)-hexa-2,4-dieneperoxoate;hydride
CID 173044969
potassium;(2E,4E)-hexa-2,4-dieneperoxoic acid;hydride
CID 174428854
methyl (2E,4E)-6-oxohepta-2,4-dienoate
CID 13383933
methyl but-2-enoate;hydrochloride
CID 174681562
methyl (2E,4E)-6-amino-6-oxohexa-2,4-dienoate
CID 15562430
dipotassium;(2E,4E)-hexa-2,4-dienoic acid;hydride
CID 173074138
2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate
CID 54422088
potassium;butyl (2E,4E)-hexa-2,4-dienoate;hydride
CID 173308758
CID 160615105
CID 160615105
methyl 5-(dimethylamino)penta-2,4-dienoate
CID 85176290

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;methyl (2E,4E)-hexa-2,4-dienoate?
The IUPAC name of potassium;hydride;methyl (2E,4E)-hexa-2,4-dienoate (CID 173249378) is potassium;hydride;methyl (2E,4E)-hexa-2,4-dienoate.
What is the SMILES notation for potassium;hydride;methyl (2E,4E)-hexa-2,4-dienoate?
The canonical SMILES for potassium;hydride;methyl (2E,4E)-hexa-2,4-dienoate is C/C=C/C=C/C(=O)OC.[H-].[K+].
What is the InChIKey of potassium;hydride;methyl (2E,4E)-hexa-2,4-dienoate?
The InChIKey is LXPBOZGLUJIWCV-LXFXVGTCSA-N. The full InChI is InChI=1S/C7H10O2.K.H/c1-3-4-5-6-7(8)9-2;;/h3-6H,1-2H3;;/q;+1;-1/b4-3+,6-5+;;.
What are the key properties of potassium;hydride;methyl (2E,4E)-hexa-2,4-dienoate?
potassium;hydride;methyl (2E,4E)-hexa-2,4-dienoate has a molecular weight of 166.26 g/mol, XLogP of -1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;methyl (2E,4E)-hexa-2,4-dienoate is sourced from PubChem (CID 173249378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).