2-hydroxyethyl hydrogen sulfite;oxolane

C6H14O5S — CID 174876334

IUPAC2-hydroxyethyl hydrogen sulfite;oxolane
SMILESC1CCOC1.O=S(O)OCCO
InChIInChI=1S/C4H8O.C2H6O4S/c1-2-4-5-3-1;3-1-2-6-7(4)5/h1-4H2;3H,1-2H2,(H,4,5)
InChIKeyPEJOLQMFNNGWGO-UHFFFAOYSA-N
MW198.24 g/mol
LogP-0.07
Rot. Bonds3

About 2-hydroxyethyl hydrogen sulfite;oxolane

2-hydroxyethyl hydrogen sulfite;oxolane (PubChem CID 174876334) has the molecular formula C6H14O5S and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-hydroxyethyl hydrogen sulfite;oxolane.

Molecular Properties

Compound Name2-hydroxyethyl hydrogen sulfite;oxolane
PubChem CID174876334
Molecular FormulaC6H14O5S
Molecular Weight198.24 g/mol
Exact Mass198.06
IUPAC Name2-hydroxyethyl hydrogen sulfite;oxolane
SMILESC1CCOC1.O=S(O)OCCO
InChIInChI=1S/C4H8O.C2H6O4S/c1-2-4-5-3-1;3-1-2-6-7(4)5/h1-4H2;3H,1-2H2,(H,4,5)
InChIKeyPEJOLQMFNNGWGO-UHFFFAOYSA-N
XLogP-0.07
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl hydrogen sulfite;oxolane?
The IUPAC name of 2-hydroxyethyl hydrogen sulfite;oxolane (CID 174876334) is 2-hydroxyethyl hydrogen sulfite;oxolane.
What is the SMILES notation for 2-hydroxyethyl hydrogen sulfite;oxolane?
The canonical SMILES for 2-hydroxyethyl hydrogen sulfite;oxolane is C1CCOC1.O=S(O)OCCO.
What is the InChIKey of 2-hydroxyethyl hydrogen sulfite;oxolane?
The InChIKey is PEJOLQMFNNGWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C2H6O4S/c1-2-4-5-3-1;3-1-2-6-7(4)5/h1-4H2;3H,1-2H2,(H,4,5).
What are the key properties of 2-hydroxyethyl hydrogen sulfite;oxolane?
2-hydroxyethyl hydrogen sulfite;oxolane has a molecular weight of 198.24 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl hydrogen sulfite;oxolane is sourced from PubChem (CID 174876334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).