tetradec-3-ene-1-sulfonic acid

C14H28O3S — CID 54404053

IUPACtetradec-3-ene-1-sulfonic acid
SMILESCCCCCCCCCCC=CCCS(=O)(=O)O
InChIInChI=1S/C14H28O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17/h11-12H,2-10,13-14H2,1H3,(H,15,16,17)
InChIKeyVPKLTEFEYPMREN-UHFFFAOYSA-N
MW276.44 g/mol
LogP4.35
Rot. Bonds12

About tetradec-3-ene-1-sulfonic acid

tetradec-3-ene-1-sulfonic acid (PubChem CID 54404053) has the molecular formula C14H28O3S and a molecular weight of 276.44 g/mol. Its IUPAC name is tetradec-3-ene-1-sulfonic acid.

Molecular Properties

Compound Nametetradec-3-ene-1-sulfonic acid
PubChem CID54404053
Molecular FormulaC14H28O3S
Molecular Weight276.44 g/mol
Exact Mass276.18
IUPAC Nametetradec-3-ene-1-sulfonic acid
SMILESCCCCCCCCCCC=CCCS(=O)(=O)O
InChIInChI=1S/C14H28O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17/h11-12H,2-10,13-14H2,1H3,(H,15,16,17)
InChIKeyVPKLTEFEYPMREN-UHFFFAOYSA-N
XLogP4.35
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.44
LogP ≤ 54.35
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

hexadec-4-ene-1-sulfonic acid
CID 54039350
sodium;hydride;(Z)-octadec-9-ene-1-sulfonic acid
CID 173328346
(E)-octacos-2-ene-1-sulfonic acid
CID 90188027
(Z)-tridec-2-ene-1-sulfonic acid
CID 139805956
nonadec-2-ene-1-sulfonic acid
CID 54546820
CID 170843362
CID 170843362
10-nonoxydec-7-ene-1-sulfonic acid
CID 74380555
tris[(E)-docos-1-enyl]-(2-sulfoethyl)azanium
CID 101285563
2-hydroxyethanesulfonic acid;(Z)-octadec-9-enamide
CID 174421600
potassium;hydride;2-[methyl-[(Z)-octadec-9-enyl]amino]ethanesulfonic acid
CID 173121917
2-[[(Z)-octadec-9-enoyl]amino]ethanesulfonic acid
CID 6437033
2-(tetracos-15-enoylamino)ethanesulfonic acid
CID 53394525

Frequently Asked Questions

What is the IUPAC name of tetradec-3-ene-1-sulfonic acid?
The IUPAC name of tetradec-3-ene-1-sulfonic acid (CID 54404053) is tetradec-3-ene-1-sulfonic acid.
What is the SMILES notation for tetradec-3-ene-1-sulfonic acid?
The canonical SMILES for tetradec-3-ene-1-sulfonic acid is CCCCCCCCCCC=CCCS(=O)(=O)O.
What is the InChIKey of tetradec-3-ene-1-sulfonic acid?
The InChIKey is VPKLTEFEYPMREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17/h11-12H,2-10,13-14H2,1H3,(H,15,16,17).
What are the key properties of tetradec-3-ene-1-sulfonic acid?
tetradec-3-ene-1-sulfonic acid has a molecular weight of 276.44 g/mol, XLogP of 4.35, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradec-3-ene-1-sulfonic acid is sourced from PubChem (CID 54404053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).