2-prop-2-enoxyethanesulfonyl chloride

C5H9ClO3S — CID 122163179

IUPAC2-prop-2-enoxyethanesulfonyl chloride
SMILESC=CCOCCS(=O)(=O)Cl
InChIInChI=1S/C5H9ClO3S/c1-2-3-9-4-5-10(6,7)8/h2H,1,3-5H2
InChIKeyZEQIEESPCKOAQQ-UHFFFAOYSA-N
MW184.64 g/mol
LogP0.76
Rot. Bonds5

About 2-prop-2-enoxyethanesulfonyl chloride

2-prop-2-enoxyethanesulfonyl chloride (PubChem CID 122163179) has the molecular formula C5H9ClO3S and a molecular weight of 184.64 g/mol. Its IUPAC name is 2-prop-2-enoxyethanesulfonyl chloride.

Molecular Properties

Compound Name2-prop-2-enoxyethanesulfonyl chloride
PubChem CID122163179
Molecular FormulaC5H9ClO3S
Molecular Weight184.64 g/mol
Exact Mass184.00
IUPAC Name2-prop-2-enoxyethanesulfonyl chloride
SMILESC=CCOCCS(=O)(=O)Cl
InChIInChI=1S/C5H9ClO3S/c1-2-3-9-4-5-10(6,7)8/h2H,1,3-5H2
InChIKeyZEQIEESPCKOAQQ-UHFFFAOYSA-N
XLogP0.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.64
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxyethanesulfonyl chloride?
The IUPAC name of 2-prop-2-enoxyethanesulfonyl chloride (CID 122163179) is 2-prop-2-enoxyethanesulfonyl chloride.
What is the SMILES notation for 2-prop-2-enoxyethanesulfonyl chloride?
The canonical SMILES for 2-prop-2-enoxyethanesulfonyl chloride is C=CCOCCS(=O)(=O)Cl.
What is the InChIKey of 2-prop-2-enoxyethanesulfonyl chloride?
The InChIKey is ZEQIEESPCKOAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO3S/c1-2-3-9-4-5-10(6,7)8/h2H,1,3-5H2.
What are the key properties of 2-prop-2-enoxyethanesulfonyl chloride?
2-prop-2-enoxyethanesulfonyl chloride has a molecular weight of 184.64 g/mol, XLogP of 0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxyethanesulfonyl chloride is sourced from PubChem (CID 122163179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).