nonadec-2-ene-1-sulfonic acid

C19H38O3S — CID 54546820

IUPACnonadec-2-ene-1-sulfonic acid
SMILESCCCCCCCCCCCCCCCCC=CCS(=O)(=O)O
InChIInChI=1S/C19H38O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22/h17-18H,2-16,19H2,1H3,(H,20,21,22)
InChIKeyZHCICOBJSSYYIL-UHFFFAOYSA-N
MW346.58 g/mol
LogP6.30
Rot. Bonds17

About nonadec-2-ene-1-sulfonic acid

nonadec-2-ene-1-sulfonic acid (PubChem CID 54546820) has the molecular formula C19H38O3S and a molecular weight of 346.58 g/mol. Its IUPAC name is nonadec-2-ene-1-sulfonic acid.

Molecular Properties

Compound Namenonadec-2-ene-1-sulfonic acid
PubChem CID54546820
Molecular FormulaC19H38O3S
Molecular Weight346.58 g/mol
Exact Mass346.25
IUPAC Namenonadec-2-ene-1-sulfonic acid
SMILESCCCCCCCCCCCCCCCCC=CCS(=O)(=O)O
InChIInChI=1S/C19H38O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22/h17-18H,2-16,19H2,1H3,(H,20,21,22)
InChIKeyZHCICOBJSSYYIL-UHFFFAOYSA-N
XLogP6.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.58
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-tridec-2-ene-1-sulfonic acid
CID 139805956
(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
sodium;hydride;(Z)-octadec-9-ene-1-sulfonic acid
CID 173328346
sodium (E)-tritriacont-2-ene-1-sulfonate
CID 102060459
hexadec-1-en-1-ol;sulfuric acid
CID 173403496
sodium oct-2-ene-1-sulfonate
CID 140570664
(E)-octadec-1-ene-1-sulfonic acid
CID 6437334
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(E)-nonacos-10-ene
CID 14367300

Frequently Asked Questions

What is the IUPAC name of nonadec-2-ene-1-sulfonic acid?
The IUPAC name of nonadec-2-ene-1-sulfonic acid (CID 54546820) is nonadec-2-ene-1-sulfonic acid.
What is the SMILES notation for nonadec-2-ene-1-sulfonic acid?
The canonical SMILES for nonadec-2-ene-1-sulfonic acid is CCCCCCCCCCCCCCCCC=CCS(=O)(=O)O.
What is the InChIKey of nonadec-2-ene-1-sulfonic acid?
The InChIKey is ZHCICOBJSSYYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22/h17-18H,2-16,19H2,1H3,(H,20,21,22).
What are the key properties of nonadec-2-ene-1-sulfonic acid?
nonadec-2-ene-1-sulfonic acid has a molecular weight of 346.58 g/mol, XLogP of 6.30, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonadec-2-ene-1-sulfonic acid is sourced from PubChem (CID 54546820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).