prop-2-enyl pent-1-ene-1-sulfonate

C8H14O3S — CID 123535532

IUPACprop-2-enyl pent-1-ene-1-sulfonate
SMILESC=CCOS(=O)(=O)C=CCCC
InChIInChI=1S/C8H14O3S/c1-3-5-6-8-12(9,10)11-7-4-2/h4,6,8H,2-3,5,7H2,1H3
InChIKeyMIAIUFYDRXZEHC-UHFFFAOYSA-N
MW190.26 g/mol
LogP1.83
Rot. Bonds6

About prop-2-enyl pent-1-ene-1-sulfonate

prop-2-enyl pent-1-ene-1-sulfonate (PubChem CID 123535532) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is prop-2-enyl pent-1-ene-1-sulfonate.

Molecular Properties

Compound Nameprop-2-enyl pent-1-ene-1-sulfonate
PubChem CID123535532
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Nameprop-2-enyl pent-1-ene-1-sulfonate
SMILESC=CCOS(=O)(=O)C=CCCC
InChIInChI=1S/C8H14O3S/c1-3-5-6-8-12(9,10)11-7-4-2/h4,6,8H,2-3,5,7H2,1H3
InChIKeyMIAIUFYDRXZEHC-UHFFFAOYSA-N
XLogP1.83
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

methyl pent-1-ene-1-sulfonate
CID 76785645
2,2,2-trifluoroethyl (E)-pent-1-ene-1-sulfonate
CID 88547783
CID 172829566
CID 172829566
1-ethylsulfonylpent-1-ene
CID 57276747
2-methylpropyl nonadec-1-ene-1-sulfonate
CID 175753595
dodecyl dodec-1-ene-1-sulfonate
CID 170848113
sodium;ethyl prop-2-enyl sulfate;hydride
CID 173210575
prop-2-enyl 2-propoxyethyl sulfate
CID 87060829
ethoxy prop-2-enyl sulfate
CID 87065036
4-ethenylsulfonyloxybut-2-enyl ethenesulfonate
CID 123832302
prop-2-enyl hydrogen sulfate;tetradecane
CID 87113909
prop-2-enyl (1E)-2-methylbuta-1,3-diene-1-sulfonate
CID 118386688

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl pent-1-ene-1-sulfonate?
The IUPAC name of prop-2-enyl pent-1-ene-1-sulfonate (CID 123535532) is prop-2-enyl pent-1-ene-1-sulfonate.
What is the SMILES notation for prop-2-enyl pent-1-ene-1-sulfonate?
The canonical SMILES for prop-2-enyl pent-1-ene-1-sulfonate is C=CCOS(=O)(=O)C=CCCC.
What is the InChIKey of prop-2-enyl pent-1-ene-1-sulfonate?
The InChIKey is MIAIUFYDRXZEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-3-5-6-8-12(9,10)11-7-4-2/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of prop-2-enyl pent-1-ene-1-sulfonate?
prop-2-enyl pent-1-ene-1-sulfonate has a molecular weight of 190.26 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl pent-1-ene-1-sulfonate is sourced from PubChem (CID 123535532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).