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

C18H36O3S — CID 6437334

IUPAC(E)-octadec-1-ene-1-sulfonic acid
SMILESCCCCCCCCCCCCCCCC/C=C/S(=O)(=O)O
InChIInChI=1S/C18H36O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h17-18H,2-16H2,1H3,(H,19,20,21)/b18-17+
InChIKeyGYVKLDBUSXDBPV-ISLYRVAYSA-N
MW332.55 g/mol
LogP6.26
Rot. Bonds16

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

(E)-octadec-1-ene-1-sulfonic acid (PubChem CID 6437334) has the molecular formula C18H36O3S and a molecular weight of 332.55 g/mol. Its IUPAC name is (E)-octadec-1-ene-1-sulfonic acid.

Molecular Properties

Compound Name(E)-octadec-1-ene-1-sulfonic acid
PubChem CID6437334
Molecular FormulaC18H36O3S
Molecular Weight332.55 g/mol
Exact Mass332.24
IUPAC Name(E)-octadec-1-ene-1-sulfonic acid
SMILESCCCCCCCCCCCCCCCC/C=C/S(=O)(=O)O
InChIInChI=1S/C18H36O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h17-18H,2-16H2,1H3,(H,19,20,21)/b18-17+
InChIKeyGYVKLDBUSXDBPV-ISLYRVAYSA-N
XLogP6.26
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.55
LogP ≤ 56.26
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'}

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Related Compounds

lithium;hydride;tetradec-1-ene-1-sulfonic acid
CID 173398545
sodium;hydride;oct-1-ene-1-sulfonic acid
CID 173113775
sodium (Z)-octadec-1-ene-1-sulfonate
CID 23695355
hexadec-1-en-1-ol;sulfuric acid
CID 173403496
(E)-octacos-2-ene-1-sulfonic acid
CID 90188027
tetradec-3-ene-1-sulfonic acid
CID 54404053
hexadec-4-ene-1-sulfonic acid
CID 54039350
(Z)-tridec-2-ene-1-sulfonic acid
CID 139805956
nonadec-2-ene-1-sulfonic acid
CID 54546820
1-(bromomethylsulfonyl)dec-1-ene
CID 54400319
disodium;hydride;tetradec-1-enylsulfonyl tetradec-1-ene-1-sulfonate
CID 173209963
sodium;hydride;(Z)-octadec-9-ene-1-sulfonic acid
CID 173328346

Frequently Asked Questions

What is the IUPAC name of (E)-octadec-1-ene-1-sulfonic acid?
The IUPAC name of (E)-octadec-1-ene-1-sulfonic acid (CID 6437334) is (E)-octadec-1-ene-1-sulfonic acid.
What is the SMILES notation for (E)-octadec-1-ene-1-sulfonic acid?
The canonical SMILES for (E)-octadec-1-ene-1-sulfonic acid is CCCCCCCCCCCCCCCC/C=C/S(=O)(=O)O.
What is the InChIKey of (E)-octadec-1-ene-1-sulfonic acid?
The InChIKey is GYVKLDBUSXDBPV-ISLYRVAYSA-N. The full InChI is InChI=1S/C18H36O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h17-18H,2-16H2,1H3,(H,19,20,21)/b18-17+.
What are the key properties of (E)-octadec-1-ene-1-sulfonic acid?
(E)-octadec-1-ene-1-sulfonic acid has a molecular weight of 332.55 g/mol, XLogP of 6.26, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-octadec-1-ene-1-sulfonic acid is sourced from PubChem (CID 6437334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).