2-ethyl-1-hydroxycyclopentane-1-sulfonic acid

C7H14O4S — CID 103574067

IUPAC2-ethyl-1-hydroxycyclopentane-1-sulfonic acid
SMILESCCC1CCCC1(O)S(=O)(=O)O
InChIInChI=1S/C7H14O4S/c1-2-6-4-3-5-7(6,8)12(9,10)11/h6,8H,2-5H2,1H3,(H,9,10,11)
InChIKeyUYZBBAJBOCZISM-UHFFFAOYSA-N
MW194.25 g/mol
LogP0.77
Rot. Bonds2

About 2-ethyl-1-hydroxycyclopentane-1-sulfonic acid

2-ethyl-1-hydroxycyclopentane-1-sulfonic acid (PubChem CID 103574067) has the molecular formula C7H14O4S and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-ethyl-1-hydroxycyclopentane-1-sulfonic acid.

Molecular Properties

Compound Name2-ethyl-1-hydroxycyclopentane-1-sulfonic acid
PubChem CID103574067
Molecular FormulaC7H14O4S
Molecular Weight194.25 g/mol
Exact Mass194.06
IUPAC Name2-ethyl-1-hydroxycyclopentane-1-sulfonic acid
SMILESCCC1CCCC1(O)S(=O)(=O)O
InChIInChI=1S/C7H14O4S/c1-2-6-4-3-5-7(6,8)12(9,10)11/h6,8H,2-5H2,1H3,(H,9,10,11)
InChIKeyUYZBBAJBOCZISM-UHFFFAOYSA-N
XLogP0.77
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

alumane;1,2-diethylcyclopentan-1-ol
CID 174746701
2-(2-ethyl-1-hydroxycyclopentyl)acetaldehyde
CID 114795390
2-ethyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-ol
CID 65149543
trans-(1R,2S)-1,2-diethylcyclohexan-1-ol
CID 86308413
2-ethyl-1-sulfanylcyclohexan-1-ol
CID 20564659
sodium 1-hydroxy-2-methylcyclopentane-1-sulfonate
CID 103574475
(2,2-dimethylcyclopentyl)methanesulfonamide
CID 107186498
(1,2-diethylcyclopentanecarbonyl)phosphonic acid
CID 57348632
1-hydroxy-2-phenylcyclohexane-1-sulfonic acid
CID 103574511
1,1,2,2,3-pentaethylcyclohexane
CID 54223237
2-ethyl-1-prop-1-ynylcyclohexan-1-ol
CID 126977532
(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;sulfuric acid
CID 158607456

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-hydroxycyclopentane-1-sulfonic acid?
The IUPAC name of 2-ethyl-1-hydroxycyclopentane-1-sulfonic acid (CID 103574067) is 2-ethyl-1-hydroxycyclopentane-1-sulfonic acid.
What is the SMILES notation for 2-ethyl-1-hydroxycyclopentane-1-sulfonic acid?
The canonical SMILES for 2-ethyl-1-hydroxycyclopentane-1-sulfonic acid is CCC1CCCC1(O)S(=O)(=O)O.
What is the InChIKey of 2-ethyl-1-hydroxycyclopentane-1-sulfonic acid?
The InChIKey is UYZBBAJBOCZISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4S/c1-2-6-4-3-5-7(6,8)12(9,10)11/h6,8H,2-5H2,1H3,(H,9,10,11).
What are the key properties of 2-ethyl-1-hydroxycyclopentane-1-sulfonic acid?
2-ethyl-1-hydroxycyclopentane-1-sulfonic acid has a molecular weight of 194.25 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-hydroxycyclopentane-1-sulfonic acid is sourced from PubChem (CID 103574067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).