cyclopropyloxysulfonylmethyl propanoate

C7H12O5S — CID 174799790

IUPACcyclopropyloxysulfonylmethyl propanoate
SMILESCCC(=O)OCS(=O)(=O)OC1CC1
InChIInChI=1S/C7H12O5S/c1-2-7(8)11-5-13(9,10)12-6-3-4-6/h6H,2-5H2,1H3
InChIKeyXAJMNEIQIJVIPF-UHFFFAOYSA-N
MW208.23 g/mol
LogP0.41
Rot. Bonds5

About cyclopropyloxysulfonylmethyl propanoate

cyclopropyloxysulfonylmethyl propanoate (PubChem CID 174799790) has the molecular formula C7H12O5S and a molecular weight of 208.23 g/mol. Its IUPAC name is cyclopropyloxysulfonylmethyl propanoate.

Molecular Properties

Compound Namecyclopropyloxysulfonylmethyl propanoate
PubChem CID174799790
Molecular FormulaC7H12O5S
Molecular Weight208.23 g/mol
Exact Mass208.04
IUPAC Namecyclopropyloxysulfonylmethyl propanoate
SMILESCCC(=O)OCS(=O)(=O)OC1CC1
InChIInChI=1S/C7H12O5S/c1-2-7(8)11-5-13(9,10)12-6-3-4-6/h6H,2-5H2,1H3
InChIKeyXAJMNEIQIJVIPF-UHFFFAOYSA-N
XLogP0.41
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

prop-2-ynoxysulfonylmethyl propanoate
CID 89235494
propanoyloxymethanesulfonic acid
CID 151221600
potassium;hydride;propanoyloxymethanesulfonic acid
CID 174802933
magnesium;hydride;propanoyloxymethanesulfonic acid
CID 174802870
ethyl propanoate;methanesulfonic acid
CID 159764839
alumane;ethyl propanoate
CID 174257559
ethyl propanoate;methane
CID 161360642
cyclohexyl propoxymethanesulfonate
CID 155066558
(4-methylsulfanylcyclohexyl) ethanesulfonate
CID 175505235
calcium;ethyl propanoate;hydride
CID 173132885
ethyl propanoate;tin(2+);dichloride
CID 171374953
ethyl propanoate;titanium(4+);tetrachloride
CID 173205872

Frequently Asked Questions

What is the IUPAC name of cyclopropyloxysulfonylmethyl propanoate?
The IUPAC name of cyclopropyloxysulfonylmethyl propanoate (CID 174799790) is cyclopropyloxysulfonylmethyl propanoate.
What is the SMILES notation for cyclopropyloxysulfonylmethyl propanoate?
The canonical SMILES for cyclopropyloxysulfonylmethyl propanoate is CCC(=O)OCS(=O)(=O)OC1CC1.
What is the InChIKey of cyclopropyloxysulfonylmethyl propanoate?
The InChIKey is XAJMNEIQIJVIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5S/c1-2-7(8)11-5-13(9,10)12-6-3-4-6/h6H,2-5H2,1H3.
What are the key properties of cyclopropyloxysulfonylmethyl propanoate?
cyclopropyloxysulfonylmethyl propanoate has a molecular weight of 208.23 g/mol, XLogP of 0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyloxysulfonylmethyl propanoate is sourced from PubChem (CID 174799790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).