(Z)-tridec-2-ene-1-sulfonic acid

C13H26O3S — CID 139805956

IUPAC(Z)-tridec-2-ene-1-sulfonic acid
SMILESCCCCCCCCCC/C=C\CS(=O)(=O)O
InChIInChI=1S/C13H26O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(14,15)16/h11-12H,2-10,13H2,1H3,(H,14,15,16)/b12-11-
InChIKeyNQSAKIGKYWMDSI-QXMHVHEDSA-N
MW262.41 g/mol
LogP3.96
Rot. Bonds11

About (Z)-tridec-2-ene-1-sulfonic acid

(Z)-tridec-2-ene-1-sulfonic acid (PubChem CID 139805956) has the molecular formula C13H26O3S and a molecular weight of 262.41 g/mol. Its IUPAC name is (Z)-tridec-2-ene-1-sulfonic acid.

Molecular Properties

Compound Name(Z)-tridec-2-ene-1-sulfonic acid
PubChem CID139805956
Molecular FormulaC13H26O3S
Molecular Weight262.41 g/mol
Exact Mass262.16
IUPAC Name(Z)-tridec-2-ene-1-sulfonic acid
SMILESCCCCCCCCCC/C=C\CS(=O)(=O)O
InChIInChI=1S/C13H26O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(14,15)16/h11-12H,2-10,13H2,1H3,(H,14,15,16)/b12-11-
InChIKeyNQSAKIGKYWMDSI-QXMHVHEDSA-N
XLogP3.96
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.41
LogP ≤ 53.96
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

nonadec-2-ene-1-sulfonic acid
CID 54546820
(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 (Z)-tridec-2-ene-1-sulfonic acid?
The IUPAC name of (Z)-tridec-2-ene-1-sulfonic acid (CID 139805956) is (Z)-tridec-2-ene-1-sulfonic acid.
What is the SMILES notation for (Z)-tridec-2-ene-1-sulfonic acid?
The canonical SMILES for (Z)-tridec-2-ene-1-sulfonic acid is CCCCCCCCCC/C=C\CS(=O)(=O)O.
What is the InChIKey of (Z)-tridec-2-ene-1-sulfonic acid?
The InChIKey is NQSAKIGKYWMDSI-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H26O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(14,15)16/h11-12H,2-10,13H2,1H3,(H,14,15,16)/b12-11-.
What are the key properties of (Z)-tridec-2-ene-1-sulfonic acid?
(Z)-tridec-2-ene-1-sulfonic acid has a molecular weight of 262.41 g/mol, XLogP of 3.96, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-tridec-2-ene-1-sulfonic acid is sourced from PubChem (CID 139805956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).