potassium 5-hydroxyheptanoate

C7H13KO3 — CID 23698795

IUPACpotassium 5-hydroxyheptanoate
SMILESCCC(O)CCCC(=O)[O-].[K+]
InChIInChI=1S/C7H14O3.K/c1-2-6(8)4-3-5-7(9)10;/h6,8H,2-5H2,1H3,(H,9,10);/q;+1/p-1
InChIKeyKHFFSBFZEDPRLL-UHFFFAOYSA-M
MW184.28 g/mol
LogP-3.32
Rot. Bonds5

About potassium 5-hydroxyheptanoate

potassium 5-hydroxyheptanoate (PubChem CID 23698795) has the molecular formula C7H13KO3 and a molecular weight of 184.28 g/mol. Its IUPAC name is potassium 5-hydroxyheptanoate.

Molecular Properties

Compound Namepotassium 5-hydroxyheptanoate
PubChem CID23698795
Molecular FormulaC7H13KO3
Molecular Weight184.28 g/mol
Exact Mass184.05
IUPAC Namepotassium 5-hydroxyheptanoate
SMILESCCC(O)CCCC(=O)[O-].[K+]
InChIInChI=1S/C7H14O3.K/c1-2-6(8)4-3-5-7(9)10;/h6,8H,2-5H2,1H3,(H,9,10);/q;+1/p-1
InChIKeyKHFFSBFZEDPRLL-UHFFFAOYSA-M
XLogP-3.32
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 5-3.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

potassium 5-hydroxyhexadecanoate
CID 171774657
5-hydroxyoctadecanoate
CID 126456525
potassium 15-hydroxyoctadecanoate
CID 101326197
(5R)-5-hydroxyheptanoic acid
CID 14029725
8-hydroxydodecanoate
CID 155802527
(5R)-5-hydroxyhexanoate
CID 7131042
sodium (12S)-12-hydroxyoctadecanoate
CID 76956600
aluminum 12-hydroxyoctadecanoate
CID 21119248
CID 71432168
CID 71432168
sodium 15-hydroxyoctadecanoate
CID 101326210
nonane-3,7-diol
CID 22141483
dipotassium;2-methylhexanedioate
CID 88781923

Frequently Asked Questions

What is the IUPAC name of potassium 5-hydroxyheptanoate?
The IUPAC name of potassium 5-hydroxyheptanoate (CID 23698795) is potassium 5-hydroxyheptanoate.
What is the SMILES notation for potassium 5-hydroxyheptanoate?
The canonical SMILES for potassium 5-hydroxyheptanoate is CCC(O)CCCC(=O)[O-].[K+].
What is the InChIKey of potassium 5-hydroxyheptanoate?
The InChIKey is KHFFSBFZEDPRLL-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14O3.K/c1-2-6(8)4-3-5-7(9)10;/h6,8H,2-5H2,1H3,(H,9,10);/q;+1/p-1.
What are the key properties of potassium 5-hydroxyheptanoate?
potassium 5-hydroxyheptanoate has a molecular weight of 184.28 g/mol, XLogP of -3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-hydroxyheptanoate is sourced from PubChem (CID 23698795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).