[(2S)-oxolan-2-yl]methyl 2-ethylsulfonyloxypropanoate

C10H18O6S — CID 88611358

IUPAC[(2S)-oxolan-2-yl]methyl 2-ethylsulfonyloxypropanoate
SMILESCCS(=O)(=O)OC(C)C(=O)OC[C@@H]1CCCO1
InChIInChI=1S/C10H18O6S/c1-3-17(12,13)16-8(2)10(11)15-7-9-5-4-6-14-9/h8-9H,3-7H2,1-2H3/t8?,9-/m0/s1
InChIKeyNPBPVFYWEUAQFN-GKAPJAKFSA-N
MW266.31 g/mol
LogP0.46
Rot. Bonds6

About [(2S)-oxolan-2-yl]methyl 2-ethylsulfonyloxypropanoate

[(2S)-oxolan-2-yl]methyl 2-ethylsulfonyloxypropanoate (PubChem CID 88611358) has the molecular formula C10H18O6S and a molecular weight of 266.31 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methyl 2-ethylsulfonyloxypropanoate.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methyl 2-ethylsulfonyloxypropanoate
PubChem CID88611358
Molecular FormulaC10H18O6S
Molecular Weight266.31 g/mol
Exact Mass266.08
IUPAC Name[(2S)-oxolan-2-yl]methyl 2-ethylsulfonyloxypropanoate
SMILESCCS(=O)(=O)OC(C)C(=O)OC[C@@H]1CCCO1
InChIInChI=1S/C10H18O6S/c1-3-17(12,13)16-8(2)10(11)15-7-9-5-4-6-14-9/h8-9H,3-7H2,1-2H3/t8?,9-/m0/s1
InChIKeyNPBPVFYWEUAQFN-GKAPJAKFSA-N
XLogP0.46
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

oxolan-2-ylmethyl 2-aminopropanoate
CID 61279087
oxolan-2-ylmethyl (2S)-2-(4-bromophenyl)sulfonyloxypropanoate
CID 88611403
oxolan-2-ylmethyl (2S)-2-(4-nitrophenyl)sulfonyloxypropanoate
CID 88611397
[(2S)-oxolan-2-yl]methyl 2-(2,4,5-trichlorophenyl)sulfonyloxypropanoate
CID 88611400
oxolan-2-ylmethyl 2-aminopropanoate;hydrochloride
CID 139215530
[(2S)-oxolan-2-yl]methyl 2-(2,5-dichlorophenyl)sulfonyloxypropanoate
CID 88611367
oxan-2-ylmethyl 2-methylbutanoate
CID 78836820
oxolan-2-ylmethyl (2S)-2-(4-chloro-3-nitrophenyl)sulfonyloxypropanoate
CID 88611405
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
oxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate
CID 61279683
1-O-(oxolan-2-ylmethyl) 3-O-propyl 2-propylpropanedioate
CID 174580903
oxan-2-ylmethyl 2-amino-2-cyclohexylacetate
CID 61277423

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]methyl 2-ethylsulfonyloxypropanoate?
The IUPAC name of [(2S)-oxolan-2-yl]methyl 2-ethylsulfonyloxypropanoate (CID 88611358) is [(2S)-oxolan-2-yl]methyl 2-ethylsulfonyloxypropanoate.
What is the SMILES notation for [(2S)-oxolan-2-yl]methyl 2-ethylsulfonyloxypropanoate?
The canonical SMILES for [(2S)-oxolan-2-yl]methyl 2-ethylsulfonyloxypropanoate is CCS(=O)(=O)OC(C)C(=O)OC[C@@H]1CCCO1.
What is the InChIKey of [(2S)-oxolan-2-yl]methyl 2-ethylsulfonyloxypropanoate?
The InChIKey is NPBPVFYWEUAQFN-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H18O6S/c1-3-17(12,13)16-8(2)10(11)15-7-9-5-4-6-14-9/h8-9H,3-7H2,1-2H3/t8?,9-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methyl 2-ethylsulfonyloxypropanoate?
[(2S)-oxolan-2-yl]methyl 2-ethylsulfonyloxypropanoate has a molecular weight of 266.31 g/mol, XLogP of 0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]methyl 2-ethylsulfonyloxypropanoate is sourced from PubChem (CID 88611358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).