potassium;2-ethoxycyclopentane-1-carboxylic acid;methanethiolate

C9H17KO3S — CID 162751269

IUPACpotassium;2-ethoxycyclopentane-1-carboxylic acid;methanethiolate
SMILESCCOC1CCCC1C(=O)O.C[S-].[K+]
InChIInChI=1S/C8H14O3.CH4S.K/c1-2-11-7-5-3-4-6(7)8(9)10;1-2;/h6-7H,2-5H2,1H3,(H,9,10);2H,1H3;/q;;+1/p-1
InChIKeyJGSDPXMJCVLSMN-UHFFFAOYSA-M
MW244.40 g/mol
LogP-1.56
Rot. Bonds3

About potassium;2-ethoxycyclopentane-1-carboxylic acid;methanethiolate

potassium;2-ethoxycyclopentane-1-carboxylic acid;methanethiolate (PubChem CID 162751269) has the molecular formula C9H17KO3S and a molecular weight of 244.40 g/mol. Its IUPAC name is potassium;2-ethoxycyclopentane-1-carboxylic acid;methanethiolate.

Molecular Properties

Compound Namepotassium;2-ethoxycyclopentane-1-carboxylic acid;methanethiolate
PubChem CID162751269
Molecular FormulaC9H17KO3S
Molecular Weight244.40 g/mol
Exact Mass244.05
IUPAC Namepotassium;2-ethoxycyclopentane-1-carboxylic acid;methanethiolate
SMILESCCOC1CCCC1C(=O)O.C[S-].[K+]
InChIInChI=1S/C8H14O3.CH4S.K/c1-2-11-7-5-3-4-6(7)8(9)10;1-2;/h6-7H,2-5H2,1H3,(H,9,10);2H,1H3;/q;;+1/p-1
InChIKeyJGSDPXMJCVLSMN-UHFFFAOYSA-M
XLogP-1.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpropoxy)cyclopentane-1-carboxylic acid
CID 18953099
2-ethoxycyclohexane-1-carboxylate
CID 23297187
trans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid
CID 39872362
(1R,3aS,4S,6aS)-4-ethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylic acid
CID 125482695
2-(3-methoxypropoxy)cyclohexane-1-carboxylic acid
CID 114989139
2-(oxolan-2-ylmethoxy)cyclopentane-1-carboxylic acid
CID 114988084
2-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylic acid
CID 82239692
2-(3-hydroxypropoxy)cycloheptane-1-carboxylic acid
CID 114989146
trans-(1R,2R)-1,2-diethoxycyclohexane
CID 13170081
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
2-(3-phenylpropoxy)cyclopentane-1-carboxylic acid
CID 114989996
2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 106824409

Frequently Asked Questions

What is the IUPAC name of potassium;2-ethoxycyclopentane-1-carboxylic acid;methanethiolate?
The IUPAC name of potassium;2-ethoxycyclopentane-1-carboxylic acid;methanethiolate (CID 162751269) is potassium;2-ethoxycyclopentane-1-carboxylic acid;methanethiolate.
What is the SMILES notation for potassium;2-ethoxycyclopentane-1-carboxylic acid;methanethiolate?
The canonical SMILES for potassium;2-ethoxycyclopentane-1-carboxylic acid;methanethiolate is CCOC1CCCC1C(=O)O.C[S-].[K+].
What is the InChIKey of potassium;2-ethoxycyclopentane-1-carboxylic acid;methanethiolate?
The InChIKey is JGSDPXMJCVLSMN-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14O3.CH4S.K/c1-2-11-7-5-3-4-6(7)8(9)10;1-2;/h6-7H,2-5H2,1H3,(H,9,10);2H,1H3;/q;;+1/p-1.
What are the key properties of potassium;2-ethoxycyclopentane-1-carboxylic acid;methanethiolate?
potassium;2-ethoxycyclopentane-1-carboxylic acid;methanethiolate has a molecular weight of 244.40 g/mol, XLogP of -1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-ethoxycyclopentane-1-carboxylic acid;methanethiolate is sourced from PubChem (CID 162751269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).