(E)-dec-1-ene-1-sulfonic acid

C10H20O3S — CID 6450292

IUPAC(E)-dec-1-ene-1-sulfonic acid
SMILESCCCCCCCC/C=C/S(=O)(=O)O
InChIInChI=1S/C10H20O3S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h9-10H,2-8H2,1H3,(H,11,12,13)/b10-9+
InChIKeySVDCMXMRTJEAHD-MDZDMXLPSA-N
MW220.33 g/mol
LogP3.14
Rot. Bonds8

About (E)-dec-1-ene-1-sulfonic acid

(E)-dec-1-ene-1-sulfonic acid (PubChem CID 6450292) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is (E)-dec-1-ene-1-sulfonic acid.

Molecular Properties

Compound Name(E)-dec-1-ene-1-sulfonic acid
PubChem CID6450292
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name(E)-dec-1-ene-1-sulfonic acid
SMILESCCCCCCCC/C=C/S(=O)(=O)O
InChIInChI=1S/C10H20O3S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h9-10H,2-8H2,1H3,(H,11,12,13)/b10-9+
InChIKeySVDCMXMRTJEAHD-MDZDMXLPSA-N
XLogP3.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-dec-1-ene-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 (E)-dec-1-ene-1-sulfonic acid?
The IUPAC name of (E)-dec-1-ene-1-sulfonic acid (CID 6450292) is (E)-dec-1-ene-1-sulfonic acid.
What is the SMILES notation for (E)-dec-1-ene-1-sulfonic acid?
The canonical SMILES for (E)-dec-1-ene-1-sulfonic acid is CCCCCCCC/C=C/S(=O)(=O)O.
What is the InChIKey of (E)-dec-1-ene-1-sulfonic acid?
The InChIKey is SVDCMXMRTJEAHD-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H20O3S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h9-10H,2-8H2,1H3,(H,11,12,13)/b10-9+.
What are the key properties of (E)-dec-1-ene-1-sulfonic acid?
(E)-dec-1-ene-1-sulfonic acid has a molecular weight of 220.33 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-dec-1-ene-1-sulfonic acid is sourced from PubChem (CID 6450292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).