2-ethenoxyethyl sulfite

C4H7O4S- — CID 174365194

IUPAC2-ethenoxyethyl sulfite
SMILESC=COCCOS(=O)[O-]
InChIInChI=1S/C4H8O4S/c1-2-7-3-4-8-9(5)6/h2H,1,3-4H2,(H,5,6)/p-1
InChIKeyVBIHGXWNOUQESP-UHFFFAOYSA-M
MW151.16 g/mol
LogP-0.04
Rot. Bonds5

About 2-ethenoxyethyl sulfite

2-ethenoxyethyl sulfite (PubChem CID 174365194) has the molecular formula C4H7O4S- and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-ethenoxyethyl sulfite.

Molecular Properties

Compound Name2-ethenoxyethyl sulfite
PubChem CID174365194
Molecular FormulaC4H7O4S-
Molecular Weight151.16 g/mol
Exact Mass151.01
IUPAC Name2-ethenoxyethyl sulfite
SMILESC=COCCOS(=O)[O-]
InChIInChI=1S/C4H8O4S/c1-2-7-3-4-8-9(5)6/h2H,1,3-4H2,(H,5,6)/p-1
InChIKeyVBIHGXWNOUQESP-UHFFFAOYSA-M
XLogP-0.04
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl sulfite
CID 54514151
3-oxopent-4-enyl sulfite
CID 91149708
sodium;hex-5-enyl sulfite;hydride
CID 174851694
N,N-dimethylmethanamine;pent-4-enyl sulfite
CID 174898372
1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 139860327
1-ethenoxy-2-methoxyethane
CID 15457
bis(ethane-1,2-diol);2-hydroxyethyl sulfite
CID 174827171
2-ethenoxyethyl hypochlorite
CID 175416339
potassium 3-chloropropyl sulfite
CID 174658395
potassium 3-fluoropropyl sulfite
CID 174672463
2-methylsulfanylethyl sulfite
CID 118684475
1,9-bis(ethenoxy)nonane
CID 21044784

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxyethyl sulfite?
The IUPAC name of 2-ethenoxyethyl sulfite (CID 174365194) is 2-ethenoxyethyl sulfite.
What is the SMILES notation for 2-ethenoxyethyl sulfite?
The canonical SMILES for 2-ethenoxyethyl sulfite is C=COCCOS(=O)[O-].
What is the InChIKey of 2-ethenoxyethyl sulfite?
The InChIKey is VBIHGXWNOUQESP-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O4S/c1-2-7-3-4-8-9(5)6/h2H,1,3-4H2,(H,5,6)/p-1.
What are the key properties of 2-ethenoxyethyl sulfite?
2-ethenoxyethyl sulfite has a molecular weight of 151.16 g/mol, XLogP of -0.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxyethyl sulfite is sourced from PubChem (CID 174365194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).