potassium (E)-3-carboxynon-7-enoate

C10H15KO4 — CID 102118561

IUPACpotassium (E)-3-carboxynon-7-enoate
SMILESC/C=C/CCCC(CC(=O)[O-])C(=O)O.[K+]
InChIInChI=1S/C10H16O4.K/c1-2-3-4-5-6-8(10(13)14)7-9(11)12;/h2-3,8H,4-7H2,1H3,(H,11,12)(H,13,14);/q;+1/p-1/b3-2+;
InChIKeyUBFFVUYTAYEQBX-SQQVDAMQSA-M
MW238.32 g/mol
LogP-2.42
Rot. Bonds7

About potassium (E)-3-carboxynon-7-enoate

potassium (E)-3-carboxynon-7-enoate (PubChem CID 102118561) has the molecular formula C10H15KO4 and a molecular weight of 238.32 g/mol. Its IUPAC name is potassium (E)-3-carboxynon-7-enoate.

Molecular Properties

Compound Namepotassium (E)-3-carboxynon-7-enoate
PubChem CID102118561
Molecular FormulaC10H15KO4
Molecular Weight238.32 g/mol
Exact Mass238.06
IUPAC Namepotassium (E)-3-carboxynon-7-enoate
SMILESC/C=C/CCCC(CC(=O)[O-])C(=O)O.[K+]
InChIInChI=1S/C10H16O4.K/c1-2-3-4-5-6-8(10(13)14)7-9(11)12;/h2-3,8H,4-7H2,1H3,(H,11,12)(H,13,14);/q;+1/p-1/b3-2+;
InChIKeyUBFFVUYTAYEQBX-SQQVDAMQSA-M
XLogP-2.42
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 5-2.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

calcium 2-[(E)-hex-4-enyl]butanedioate
CID 102118568
potassium (E)-3-carboxytricos-11-enoate
CID 101278038
potassium (E)-3-carboxytricos-12-enoate
CID 101278039
2-[(E)-dodec-10-enyl]butanedioic acid
CID 101277909
potassium 3-carboxyheptanoate
CID 102118519
2-ethylnon-7-enoic acid
CID 143730555
2-octylhexadeca-6,10,14-trienoic acid
CID 141369236
sodium 3-carboxynon-8-enoate
CID 102118555
2-[(2E,12E)-tetradeca-2,12-dienyl]butanedioic acid
CID 101278112
2-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oct-6-enoic acid
CID 175259858
(E)-2-methylnon-7-enoic acid
CID 146276957
2-decyl-4-oxohenicos-12-enoic acid
CID 173434163

Frequently Asked Questions

What is the IUPAC name of potassium (E)-3-carboxynon-7-enoate?
The IUPAC name of potassium (E)-3-carboxynon-7-enoate (CID 102118561) is potassium (E)-3-carboxynon-7-enoate.
What is the SMILES notation for potassium (E)-3-carboxynon-7-enoate?
The canonical SMILES for potassium (E)-3-carboxynon-7-enoate is C/C=C/CCCC(CC(=O)[O-])C(=O)O.[K+].
What is the InChIKey of potassium (E)-3-carboxynon-7-enoate?
The InChIKey is UBFFVUYTAYEQBX-SQQVDAMQSA-M. The full InChI is InChI=1S/C10H16O4.K/c1-2-3-4-5-6-8(10(13)14)7-9(11)12;/h2-3,8H,4-7H2,1H3,(H,11,12)(H,13,14);/q;+1/p-1/b3-2+;.
What are the key properties of potassium (E)-3-carboxynon-7-enoate?
potassium (E)-3-carboxynon-7-enoate has a molecular weight of 238.32 g/mol, XLogP of -2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (E)-3-carboxynon-7-enoate is sourced from PubChem (CID 102118561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).