4-ethenoxycyclohexane-1-sulfonic acid

C8H14O4S — CID 172840898

IUPAC4-ethenoxycyclohexane-1-sulfonic acid
SMILESC=COC1CCC(S(=O)(=O)O)CC1
InChIInChI=1S/C8H14O4S/c1-2-12-7-3-5-8(6-4-7)13(9,10)11/h2,7-8H,1,3-6H2,(H,9,10,11)
InChIKeyJZVIZZNLVXVYDU-UHFFFAOYSA-N
MW206.26 g/mol
LogP1.35
Rot. Bonds3

About 4-ethenoxycyclohexane-1-sulfonic acid

4-ethenoxycyclohexane-1-sulfonic acid (PubChem CID 172840898) has the molecular formula C8H14O4S and a molecular weight of 206.26 g/mol. Its IUPAC name is 4-ethenoxycyclohexane-1-sulfonic acid.

Molecular Properties

Compound Name4-ethenoxycyclohexane-1-sulfonic acid
PubChem CID172840898
Molecular FormulaC8H14O4S
Molecular Weight206.26 g/mol
Exact Mass206.06
IUPAC Name4-ethenoxycyclohexane-1-sulfonic acid
SMILESC=COC1CCC(S(=O)(=O)O)CC1
InChIInChI=1S/C8H14O4S/c1-2-12-7-3-5-8(6-4-7)13(9,10)11/h2,7-8H,1,3-6H2,(H,9,10,11)
InChIKeyJZVIZZNLVXVYDU-UHFFFAOYSA-N
XLogP1.35
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-ethenoxycyclohexane-1-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethenoxycyclohexane-1-sulfonic acid?
The IUPAC name of 4-ethenoxycyclohexane-1-sulfonic acid (CID 172840898) is 4-ethenoxycyclohexane-1-sulfonic acid.
What is the SMILES notation for 4-ethenoxycyclohexane-1-sulfonic acid?
The canonical SMILES for 4-ethenoxycyclohexane-1-sulfonic acid is C=COC1CCC(S(=O)(=O)O)CC1.
What is the InChIKey of 4-ethenoxycyclohexane-1-sulfonic acid?
The InChIKey is JZVIZZNLVXVYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S/c1-2-12-7-3-5-8(6-4-7)13(9,10)11/h2,7-8H,1,3-6H2,(H,9,10,11).
What are the key properties of 4-ethenoxycyclohexane-1-sulfonic acid?
4-ethenoxycyclohexane-1-sulfonic acid has a molecular weight of 206.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxycyclohexane-1-sulfonic acid is sourced from PubChem (CID 172840898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).