potassium 3-carboxyheptanoate

C8H13KO4 — CID 102118519

IUPACpotassium 3-carboxyheptanoate
SMILESCCCCC(CC(=O)[O-])C(=O)O.[K+]
InChIInChI=1S/C8H14O4.K/c1-2-3-4-6(8(11)12)5-7(9)10;/h6H,2-5H2,1H3,(H,9,10)(H,11,12);/q;+1/p-1
InChIKeyOEISUMNRUKMRQY-UHFFFAOYSA-M
MW212.29 g/mol
LogP-2.98
Rot. Bonds6

About potassium 3-carboxyheptanoate

potassium 3-carboxyheptanoate (PubChem CID 102118519) has the molecular formula C8H13KO4 and a molecular weight of 212.29 g/mol. Its IUPAC name is potassium 3-carboxyheptanoate.

Molecular Properties

Compound Namepotassium 3-carboxyheptanoate
PubChem CID102118519
Molecular FormulaC8H13KO4
Molecular Weight212.29 g/mol
Exact Mass212.05
IUPAC Namepotassium 3-carboxyheptanoate
SMILESCCCCC(CC(=O)[O-])C(=O)O.[K+]
InChIInChI=1S/C8H14O4.K/c1-2-3-4-6(8(11)12)5-7(9)10;/h6H,2-5H2,1H3,(H,9,10)(H,11,12);/q;+1/p-1
InChIKeyOEISUMNRUKMRQY-UHFFFAOYSA-M
XLogP-2.98
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-2.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

potassium (E)-3-carboxytricos-11-enoate
CID 101278038
potassium (E)-3-carboxytricos-12-enoate
CID 101278039
CID 87702087
CID 87702087
tetrakis(3-butoxycarbonylheptanoate);tin(4+)
CID 158382451
potassium (E)-3-carboxynon-7-enoate
CID 102118561
azane;2,7-dibutyloctanedioic acid
CID 174821009
cerium(3+);tris(2-ethylhexanoate);2-ethylhexanoic acid
CID 172697860
zinc;2-ethylhexanoate;2-ethylhexanoic acid
CID 165000820
λ2-stannane;2-propylhexanoic acid
CID 174232814
copper 2-ethylhexanoic acid
CID 54604905
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
phosphane;2-propylhexanoic acid
CID 87429538

Frequently Asked Questions

What is the IUPAC name of potassium 3-carboxyheptanoate?
The IUPAC name of potassium 3-carboxyheptanoate (CID 102118519) is potassium 3-carboxyheptanoate.
What is the SMILES notation for potassium 3-carboxyheptanoate?
The canonical SMILES for potassium 3-carboxyheptanoate is CCCCC(CC(=O)[O-])C(=O)O.[K+].
What is the InChIKey of potassium 3-carboxyheptanoate?
The InChIKey is OEISUMNRUKMRQY-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14O4.K/c1-2-3-4-6(8(11)12)5-7(9)10;/h6H,2-5H2,1H3,(H,9,10)(H,11,12);/q;+1/p-1.
What are the key properties of potassium 3-carboxyheptanoate?
potassium 3-carboxyheptanoate has a molecular weight of 212.29 g/mol, XLogP of -2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-carboxyheptanoate is sourced from PubChem (CID 102118519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).