dipotassium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid

C16H22K2O4+2 — CID 85470825

IUPACdipotassium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid
SMILESC/C=C/C(/C=C/C)(C(=O)O)C(/C=C/C)(/C=C/C)C(=O)O.[K+].[K+]
InChIInChI=1S/C16H22O4.2K/c1-5-9-15(10-6-2,13(17)18)16(11-7-3,12-8-4)14(19)20;;/h5-12H,1-4H3,(H,17,18)(H,19,20);;/q;2*+1/b9-5+,10-6+,11-7+,12-8+;;
InChIKeyRHMIKJRFXMHNGT-WSDUHDJSSA-N
MW356.54 g/mol
LogP-2.56
Rot. Bonds7

About dipotassium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid

dipotassium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid (PubChem CID 85470825) has the molecular formula C16H22K2O4+2 and a molecular weight of 356.54 g/mol. Its IUPAC name is dipotassium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid.

Molecular Properties

Compound Namedipotassium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid
PubChem CID85470825
Molecular FormulaC16H22K2O4+2
Molecular Weight356.54 g/mol
Exact Mass356.08
IUPAC Namedipotassium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid
SMILESC/C=C/C(/C=C/C)(C(=O)O)C(/C=C/C)(/C=C/C)C(=O)O.[K+].[K+]
InChIInChI=1S/C16H22O4.2K/c1-5-9-15(10-6-2,13(17)18)16(11-7-3,12-8-4)14(19)20;;/h5-12H,1-4H3,(H,17,18)(H,19,20);;/q;2*+1/b9-5+,10-6+,11-7+,12-8+;;
InChIKeyRHMIKJRFXMHNGT-WSDUHDJSSA-N
XLogP-2.56
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 5-2.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Disodium tetrapropenyl succinate
CID 18000679
Butanedioic acid, 2-(tetrapropenyl)-, 1-methyl ester, strontium salt (2:1)
CID 44150316
1,2-Dimethylcyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 18778936
3-(Methoxycarbonyl)-2,2,3-tri(prop-1-en-1-yl)hex-4-enoate
CID 71371464
Tetra(prop-1-en-1-yl)butanedioic acid
CID 53438504
Monomethyldecenylsuccinic acid
CID 54069095
Tetrapropenylbernsteinsaure-mono-isopropylester
CID 54468831
2-Methylphthalic acid
CID 68489298
3-Methoxycarbonyl-2,2,3-tris(prop-1-enyl)hex-4-enoic acid
CID 54359825
Disodium;2,2,3,3-tetrakis(prop-1-enyl)butanedioate
CID 73415310
Calcium 2,2,3,3-tetrakis(prop-1-enyl)butanedioate
CID 73653148
Dilithium tetrapropenylsuccinate
CID 6455363

Frequently Asked Questions

What is the IUPAC name of dipotassium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid?
The IUPAC name of dipotassium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid (CID 85470825) is dipotassium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid.
What is the SMILES notation for dipotassium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid?
The canonical SMILES for dipotassium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid is C/C=C/C(/C=C/C)(C(=O)O)C(/C=C/C)(/C=C/C)C(=O)O.[K+].[K+].
What is the InChIKey of dipotassium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid?
The InChIKey is RHMIKJRFXMHNGT-WSDUHDJSSA-N. The full InChI is InChI=1S/C16H22O4.2K/c1-5-9-15(10-6-2,13(17)18)16(11-7-3,12-8-4)14(19)20;;/h5-12H,1-4H3,(H,17,18)(H,19,20);;/q;2*+1/b9-5+,10-6+,11-7+,12-8+;;.
What are the key properties of dipotassium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid?
dipotassium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid has a molecular weight of 356.54 g/mol, XLogP of -2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid is sourced from PubChem (CID 85470825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).