propoxysulfonyloxysulfonyl ethanesulfonate

C5H12O9S3 — CID 150088008

IUPACpropoxysulfonyloxysulfonyl ethanesulfonate
SMILESCCCOS(=O)(=O)OS(=O)(=O)OS(=O)(=O)CC
InChIInChI=1S/C5H12O9S3/c1-3-5-12-16(8,9)14-17(10,11)13-15(6,7)4-2/h3-5H2,1-2H3
InChIKeyDSQGRTTXDSKDMY-UHFFFAOYSA-N
MW312.34 g/mol
LogP-0.71
Rot. Bonds8

About propoxysulfonyloxysulfonyl ethanesulfonate

propoxysulfonyloxysulfonyl ethanesulfonate (PubChem CID 150088008) has the molecular formula C5H12O9S3 and a molecular weight of 312.34 g/mol. Its IUPAC name is propoxysulfonyloxysulfonyl ethanesulfonate.

Molecular Properties

Compound Namepropoxysulfonyloxysulfonyl ethanesulfonate
PubChem CID150088008
Molecular FormulaC5H12O9S3
Molecular Weight312.34 g/mol
Exact Mass311.96
IUPAC Namepropoxysulfonyloxysulfonyl ethanesulfonate
SMILESCCCOS(=O)(=O)OS(=O)(=O)OS(=O)(=O)CC
InChIInChI=1S/C5H12O9S3/c1-3-5-12-16(8,9)14-17(10,11)13-15(6,7)4-2/h3-5H2,1-2H3
InChIKeyDSQGRTTXDSKDMY-UHFFFAOYSA-N
XLogP-0.71
TPSA130.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-fluoroethyl propyl sulfate
CID 166171774
ethyl propyl sulfate;hydrochloride
CID 175489043
propyl 2-aminoethanesulfonate
CID 54028272
dimethylamino propyl sulfate
CID 165093192
pentan-3-yl propyl sulfate
CID 174914441
ethanamine;propyl methanesulfonate
CID 91463182
1-ethoxysulfonylsulfonyloxypropane
CID 90767531
propyl butane-1-sulfonate
CID 12843900
CID 162169073
CID 162169073
propyl hydrogen sulfate;hydrate
CID 88639002
4-methoxytetradecoxysulfonyl 4-methoxytetradecyl sulfate
CID 139917447
ditetracosyl sulfate
CID 101286725

Frequently Asked Questions

What is the IUPAC name of propoxysulfonyloxysulfonyl ethanesulfonate?
The IUPAC name of propoxysulfonyloxysulfonyl ethanesulfonate (CID 150088008) is propoxysulfonyloxysulfonyl ethanesulfonate.
What is the SMILES notation for propoxysulfonyloxysulfonyl ethanesulfonate?
The canonical SMILES for propoxysulfonyloxysulfonyl ethanesulfonate is CCCOS(=O)(=O)OS(=O)(=O)OS(=O)(=O)CC.
What is the InChIKey of propoxysulfonyloxysulfonyl ethanesulfonate?
The InChIKey is DSQGRTTXDSKDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O9S3/c1-3-5-12-16(8,9)14-17(10,11)13-15(6,7)4-2/h3-5H2,1-2H3.
What are the key properties of propoxysulfonyloxysulfonyl ethanesulfonate?
propoxysulfonyloxysulfonyl ethanesulfonate has a molecular weight of 312.34 g/mol, XLogP of -0.71, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for propoxysulfonyloxysulfonyl ethanesulfonate is sourced from PubChem (CID 150088008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).