prop-2-enyl pentane-1-sulfonate;zinc

C8H16O3SZn — CID 87205995

IUPACprop-2-enyl pentane-1-sulfonate;zinc
SMILESC=CCOS(=O)(=O)CCCCC.[Zn]
InChIInChI=1S/C8H16O3S.Zn/c1-3-5-6-8-12(9,10)11-7-4-2;/h4H,2-3,5-8H2,1H3;
InChIKeyIFIXMXHTMBARHQ-UHFFFAOYSA-N
MW257.67 g/mol
LogP1.71
Rot. Bonds7

About prop-2-enyl pentane-1-sulfonate;zinc

prop-2-enyl pentane-1-sulfonate;zinc (PubChem CID 87205995) has the molecular formula C8H16O3SZn and a molecular weight of 257.67 g/mol. Its IUPAC name is prop-2-enyl pentane-1-sulfonate;zinc.

Molecular Properties

Compound Nameprop-2-enyl pentane-1-sulfonate;zinc
PubChem CID87205995
Molecular FormulaC8H16O3SZn
Molecular Weight257.67 g/mol
Exact Mass256.01
IUPAC Nameprop-2-enyl pentane-1-sulfonate;zinc
SMILESC=CCOS(=O)(=O)CCCCC.[Zn]
InChIInChI=1S/C8H16O3S.Zn/c1-3-5-6-8-12(9,10)11-7-4-2;/h4H,2-3,5-8H2,1H3;
InChIKeyIFIXMXHTMBARHQ-UHFFFAOYSA-N
XLogP1.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl pentane-1-sulfonate;zinc?
The IUPAC name of prop-2-enyl pentane-1-sulfonate;zinc (CID 87205995) is prop-2-enyl pentane-1-sulfonate;zinc.
What is the SMILES notation for prop-2-enyl pentane-1-sulfonate;zinc?
The canonical SMILES for prop-2-enyl pentane-1-sulfonate;zinc is C=CCOS(=O)(=O)CCCCC.[Zn].
What is the InChIKey of prop-2-enyl pentane-1-sulfonate;zinc?
The InChIKey is IFIXMXHTMBARHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S.Zn/c1-3-5-6-8-12(9,10)11-7-4-2;/h4H,2-3,5-8H2,1H3;.
What are the key properties of prop-2-enyl pentane-1-sulfonate;zinc?
prop-2-enyl pentane-1-sulfonate;zinc has a molecular weight of 257.67 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl pentane-1-sulfonate;zinc is sourced from PubChem (CID 87205995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).