2-methylprop-1-enyl ethenesulfonate

C6H10O3S — CID 87857390

IUPAC2-methylprop-1-enyl ethenesulfonate
SMILESC=CS(=O)(=O)OC=C(C)C
InChIInChI=1S/C6H10O3S/c1-4-10(7,8)9-5-6(2)3/h4-5H,1H2,2-3H3
InChIKeyXUYXCYVNAKYCBG-UHFFFAOYSA-N
MW162.21 g/mol
LogP1.40
Rot. Bonds3

About 2-methylprop-1-enyl ethenesulfonate

2-methylprop-1-enyl ethenesulfonate (PubChem CID 87857390) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-methylprop-1-enyl ethenesulfonate.

Molecular Properties

Compound Name2-methylprop-1-enyl ethenesulfonate
PubChem CID87857390
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name2-methylprop-1-enyl ethenesulfonate
SMILESC=CS(=O)(=O)OC=C(C)C
InChIInChI=1S/C6H10O3S/c1-4-10(7,8)9-5-6(2)3/h4-5H,1H2,2-3H3
InChIKeyXUYXCYVNAKYCBG-UHFFFAOYSA-N
XLogP1.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-enyl ethenesulfonate?
The IUPAC name of 2-methylprop-1-enyl ethenesulfonate (CID 87857390) is 2-methylprop-1-enyl ethenesulfonate.
What is the SMILES notation for 2-methylprop-1-enyl ethenesulfonate?
The canonical SMILES for 2-methylprop-1-enyl ethenesulfonate is C=CS(=O)(=O)OC=C(C)C.
What is the InChIKey of 2-methylprop-1-enyl ethenesulfonate?
The InChIKey is XUYXCYVNAKYCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-4-10(7,8)9-5-6(2)3/h4-5H,1H2,2-3H3.
What are the key properties of 2-methylprop-1-enyl ethenesulfonate?
2-methylprop-1-enyl ethenesulfonate has a molecular weight of 162.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-enyl ethenesulfonate is sourced from PubChem (CID 87857390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).