prop-2-ynoxysulfonylmethyl propanoate

C7H10O5S — CID 89235494

IUPACprop-2-ynoxysulfonylmethyl propanoate
SMILESC#CCOS(=O)(=O)COC(=O)CC
InChIInChI=1S/C7H10O5S/c1-3-5-12-13(9,10)6-11-7(8)4-2/h1H,4-6H2,2H3
InChIKeyLVLKCOLTTGCYCT-UHFFFAOYSA-N
MW206.22 g/mol
LogP-0.12
Rot. Bonds5

About prop-2-ynoxysulfonylmethyl propanoate

prop-2-ynoxysulfonylmethyl propanoate (PubChem CID 89235494) has the molecular formula C7H10O5S and a molecular weight of 206.22 g/mol. Its IUPAC name is prop-2-ynoxysulfonylmethyl propanoate.

Molecular Properties

Compound Nameprop-2-ynoxysulfonylmethyl propanoate
PubChem CID89235494
Molecular FormulaC7H10O5S
Molecular Weight206.22 g/mol
Exact Mass206.02
IUPAC Nameprop-2-ynoxysulfonylmethyl propanoate
SMILESC#CCOS(=O)(=O)COC(=O)CC
InChIInChI=1S/C7H10O5S/c1-3-5-12-13(9,10)6-11-7(8)4-2/h1H,4-6H2,2H3
InChIKeyLVLKCOLTTGCYCT-UHFFFAOYSA-N
XLogP-0.12
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyloxysulfonylmethyl propanoate
CID 174799790
propanoyloxymethanesulfonic acid
CID 151221600
methane;prop-2-ynyl ethanesulfonate;sulfur trioxide
CID 159732320
potassium;hydride;propanoyloxymethanesulfonic acid
CID 174802933
magnesium;hydride;propanoyloxymethanesulfonic acid
CID 174802870
sodium;hydride;prop-2-ynyl propane-1-sulfonate
CID 175482201
6-prop-2-ynoxysulfonylhexyl acetate
CID 89235274
ethyl propanoate;methanesulfonic acid
CID 159764839
prop-2-ynyl 2-ethoxyacetate
CID 14897387
alumane;ethyl propanoate
CID 174257559
ethyl propanoate;methane
CID 161360642
1-O-propyl 4-O-prop-2-ynyl butanedioate
CID 88550128

Frequently Asked Questions

What is the IUPAC name of prop-2-ynoxysulfonylmethyl propanoate?
The IUPAC name of prop-2-ynoxysulfonylmethyl propanoate (CID 89235494) is prop-2-ynoxysulfonylmethyl propanoate.
What is the SMILES notation for prop-2-ynoxysulfonylmethyl propanoate?
The canonical SMILES for prop-2-ynoxysulfonylmethyl propanoate is C#CCOS(=O)(=O)COC(=O)CC.
What is the InChIKey of prop-2-ynoxysulfonylmethyl propanoate?
The InChIKey is LVLKCOLTTGCYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5S/c1-3-5-12-13(9,10)6-11-7(8)4-2/h1H,4-6H2,2H3.
What are the key properties of prop-2-ynoxysulfonylmethyl propanoate?
prop-2-ynoxysulfonylmethyl propanoate has a molecular weight of 206.22 g/mol, XLogP of -0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynoxysulfonylmethyl propanoate is sourced from PubChem (CID 89235494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).