2-ethylsulfonylethyl formate

C5H10O4S — CID 54056397

IUPAC2-ethylsulfonylethyl formate
SMILESCCS(=O)(=O)CCOC=O
InChIInChI=1S/C5H10O4S/c1-2-10(7,8)4-3-9-5-6/h5H,2-4H2,1H3
InChIKeyWCSCEHRGRUOVMZ-UHFFFAOYSA-N
MW166.20 g/mol
LogP-0.41
Rot. Bonds5

About 2-ethylsulfonylethyl formate

2-ethylsulfonylethyl formate (PubChem CID 54056397) has the molecular formula C5H10O4S and a molecular weight of 166.20 g/mol. Its IUPAC name is 2-ethylsulfonylethyl formate.

Molecular Properties

Compound Name2-ethylsulfonylethyl formate
PubChem CID54056397
Molecular FormulaC5H10O4S
Molecular Weight166.20 g/mol
Exact Mass166.03
IUPAC Name2-ethylsulfonylethyl formate
SMILESCCS(=O)(=O)CCOC=O
InChIInChI=1S/C5H10O4S/c1-2-10(7,8)4-3-9-5-6/h5H,2-4H2,1H3
InChIKeyWCSCEHRGRUOVMZ-UHFFFAOYSA-N
XLogP-0.41
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonylethyl formate?
The IUPAC name of 2-ethylsulfonylethyl formate (CID 54056397) is 2-ethylsulfonylethyl formate.
What is the SMILES notation for 2-ethylsulfonylethyl formate?
The canonical SMILES for 2-ethylsulfonylethyl formate is CCS(=O)(=O)CCOC=O.
What is the InChIKey of 2-ethylsulfonylethyl formate?
The InChIKey is WCSCEHRGRUOVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4S/c1-2-10(7,8)4-3-9-5-6/h5H,2-4H2,1H3.
What are the key properties of 2-ethylsulfonylethyl formate?
2-ethylsulfonylethyl formate has a molecular weight of 166.20 g/mol, XLogP of -0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonylethyl formate is sourced from PubChem (CID 54056397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).