(Z)-hexadec-8-ene-8-sulfonic acid

C16H32O3S — CID 88514082

IUPAC(Z)-hexadec-8-ene-8-sulfonic acid
SMILESCCCCCCC/C=C(/CCCCCCC)S(=O)(=O)O
InChIInChI=1S/C16H32O3S/c1-3-5-7-9-11-13-15-16(20(17,18)19)14-12-10-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18,19)/b16-15-
InChIKeyRLNGMXYJDQMQQC-NXVVXOECSA-N
MW304.50 g/mol
LogP5.48
Rot. Bonds13

About (Z)-hexadec-8-ene-8-sulfonic acid

(Z)-hexadec-8-ene-8-sulfonic acid (PubChem CID 88514082) has the molecular formula C16H32O3S and a molecular weight of 304.50 g/mol. Its IUPAC name is (Z)-hexadec-8-ene-8-sulfonic acid.

Molecular Properties

Compound Name(Z)-hexadec-8-ene-8-sulfonic acid
PubChem CID88514082
Molecular FormulaC16H32O3S
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name(Z)-hexadec-8-ene-8-sulfonic acid
SMILESCCCCCCC/C=C(/CCCCCCC)S(=O)(=O)O
InChIInChI=1S/C16H32O3S/c1-3-5-7-9-11-13-15-16(20(17,18)19)14-12-10-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18,19)/b16-15-
InChIKeyRLNGMXYJDQMQQC-NXVVXOECSA-N
XLogP5.48
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.50
LogP ≤ 55.48
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

1-oxooct-2-ene-2-sulfonic acid
CID 54380521
10-icos-9-en-10-yloxyicos-9-ene
CID 57044989
6-methyldocos-6-ene
CID 629460
octatriacont-11-en-12-ol
CID 156905019
(E)-9-methylnonadec-9-ene
CID 14783585
7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460
hexatriacont-17-en-18-ol
CID 173290872
sulfuric acid;tridecane
CID 91872702
2-hexylidenenonanal
CID 54074680
2-octadecyldocos-2-enal
CID 54072385

Frequently Asked Questions

What is the IUPAC name of (Z)-hexadec-8-ene-8-sulfonic acid?
The IUPAC name of (Z)-hexadec-8-ene-8-sulfonic acid (CID 88514082) is (Z)-hexadec-8-ene-8-sulfonic acid.
What is the SMILES notation for (Z)-hexadec-8-ene-8-sulfonic acid?
The canonical SMILES for (Z)-hexadec-8-ene-8-sulfonic acid is CCCCCCC/C=C(/CCCCCCC)S(=O)(=O)O.
What is the InChIKey of (Z)-hexadec-8-ene-8-sulfonic acid?
The InChIKey is RLNGMXYJDQMQQC-NXVVXOECSA-N. The full InChI is InChI=1S/C16H32O3S/c1-3-5-7-9-11-13-15-16(20(17,18)19)14-12-10-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18,19)/b16-15-.
What are the key properties of (Z)-hexadec-8-ene-8-sulfonic acid?
(Z)-hexadec-8-ene-8-sulfonic acid has a molecular weight of 304.50 g/mol, XLogP of 5.48, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hexadec-8-ene-8-sulfonic acid is sourced from PubChem (CID 88514082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).