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

C10H17KO2 — CID 173308758

IUPACpotassium;butyl (2E,4E)-hexa-2,4-dienoate;hydride
SMILESC/C=C/C=C/C(=O)OCCCC.[H-].[K+]
InChIInChI=1S/C10H16O2.K.H/c1-3-5-7-8-10(11)12-9-6-4-2;;/h3,5,7-8H,4,6,9H2,1-2H3;;/q;+1;-1/b5-3+,8-7+;;
InChIKeyFBJRYPOANDQFMZ-AKIFFAAQSA-N
MW208.34 g/mol
LogP-0.42
Rot. Bonds5

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

potassium;butyl (2E,4E)-hexa-2,4-dienoate;hydride (PubChem CID 173308758) has the molecular formula C10H17KO2 and a molecular weight of 208.34 g/mol. Its IUPAC name is potassium;butyl (2E,4E)-hexa-2,4-dienoate;hydride.

Molecular Properties

Compound Namepotassium;butyl (2E,4E)-hexa-2,4-dienoate;hydride
PubChem CID173308758
Molecular FormulaC10H17KO2
Molecular Weight208.34 g/mol
Exact Mass208.09
IUPAC Namepotassium;butyl (2E,4E)-hexa-2,4-dienoate;hydride
SMILESC/C=C/C=C/C(=O)OCCCC.[H-].[K+]
InChIInChI=1S/C10H16O2.K.H/c1-3-5-7-8-10(11)12-9-6-4-2;;/h3,5,7-8H,4,6,9H2,1-2H3;;/q;+1;-1/b5-3+,8-7+;;
InChIKeyFBJRYPOANDQFMZ-AKIFFAAQSA-N
XLogP-0.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl (2Z,4E)-hexa-2,4-dienoate
CID 92529716
2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate
CID 54422088
diundecyl (2E,4E)-hexa-2,4-dienedioate
CID 87457796
CID 57489595
CID 57489595
butane;dibutyl (Z)-but-2-enedioate;λ2-stannane
CID 173106858
5-(diethylamino)pentyl hexa-2,4-dienoate
CID 54508576
6-(diethylamino)hexyl (2E,4E)-hexa-2,4-dienoate
CID 21249786
dodecyl (E)-but-2-enoate
CID 5462914
butyl (E)-4-[(E)-4-butoxy-4-oxobut-2-enoyl]peroxy-4-oxobut-2-enoate
CID 139958378
dibutyl (Z)-but-2-enedioate;ethane-1,2-diol
CID 175061979
(Z)-4-butoxy-4-oxobut-2-enoic acid
CID 175730618
1-O-butyl 4-O-octyl (E)-but-2-enedioate
CID 22719393

Frequently Asked Questions

What is the IUPAC name of potassium;butyl (2E,4E)-hexa-2,4-dienoate;hydride?
The IUPAC name of potassium;butyl (2E,4E)-hexa-2,4-dienoate;hydride (CID 173308758) is potassium;butyl (2E,4E)-hexa-2,4-dienoate;hydride.
What is the SMILES notation for potassium;butyl (2E,4E)-hexa-2,4-dienoate;hydride?
The canonical SMILES for potassium;butyl (2E,4E)-hexa-2,4-dienoate;hydride is C/C=C/C=C/C(=O)OCCCC.[H-].[K+].
What is the InChIKey of potassium;butyl (2E,4E)-hexa-2,4-dienoate;hydride?
The InChIKey is FBJRYPOANDQFMZ-AKIFFAAQSA-N. The full InChI is InChI=1S/C10H16O2.K.H/c1-3-5-7-8-10(11)12-9-6-4-2;;/h3,5,7-8H,4,6,9H2,1-2H3;;/q;+1;-1/b5-3+,8-7+;;.
What are the key properties of potassium;butyl (2E,4E)-hexa-2,4-dienoate;hydride?
potassium;butyl (2E,4E)-hexa-2,4-dienoate;hydride has a molecular weight of 208.34 g/mol, XLogP of -0.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;butyl (2E,4E)-hexa-2,4-dienoate;hydride is sourced from PubChem (CID 173308758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).