prop-2-enyl 2-(2-methylsulfonyloxyethoxy)acetate

C8H14O6S — CID 161457397

IUPACprop-2-enyl 2-(2-methylsulfonyloxyethoxy)acetate
SMILESC=CCOC(=O)COCCOS(C)(=O)=O
InChIInChI=1S/C8H14O6S/c1-3-4-13-8(9)7-12-5-6-14-15(2,10)11/h3H,1,4-7H2,2H3
InChIKeyUYOFXSVVOYVLPM-UHFFFAOYSA-N
MW238.26 g/mol
LogP-0.29
Rot. Bonds8

About prop-2-enyl 2-(2-methylsulfonyloxyethoxy)acetate

prop-2-enyl 2-(2-methylsulfonyloxyethoxy)acetate (PubChem CID 161457397) has the molecular formula C8H14O6S and a molecular weight of 238.26 g/mol. Its IUPAC name is prop-2-enyl 2-(2-methylsulfonyloxyethoxy)acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-(2-methylsulfonyloxyethoxy)acetate
PubChem CID161457397
Molecular FormulaC8H14O6S
Molecular Weight238.26 g/mol
Exact Mass238.05
IUPAC Nameprop-2-enyl 2-(2-methylsulfonyloxyethoxy)acetate
SMILESC=CCOC(=O)COCCOS(C)(=O)=O
InChIInChI=1S/C8H14O6S/c1-3-4-13-8(9)7-12-5-6-14-15(2,10)11/h3H,1,4-7H2,2H3
InChIKeyUYOFXSVVOYVLPM-UHFFFAOYSA-N
XLogP-0.29
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-(3-ethylpentoxy)acetate
CID 141309593
prop-2-enyl 3-[2-(2-oxopropoxy)ethoxy]propanoate
CID 140916146
2-butoxyethyl methanesulfonate;2-prop-2-enoxyethanol;2-prop-2-enoxyethyl methanesulfonate
CID 159515193
2-(2-methoxyethoxy)ethyl methanesulfonate
CID 3815654
ethenyl 2-(2-methoxyethoxy)acetate
CID 22382804
tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate
CID 71514615
azane;prop-2-enyl propanoate
CID 87729437
prop-2-enyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate
CID 88876740
prop-2-enyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate
CID 174869989
2-(5-methylsulfonyloxypentoxy)acetic acid
CID 175490607
prop-2-enyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate
CID 88876776
ethyl 2-hept-6-enoxyacetate
CID 131980625

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(2-methylsulfonyloxyethoxy)acetate?
The IUPAC name of prop-2-enyl 2-(2-methylsulfonyloxyethoxy)acetate (CID 161457397) is prop-2-enyl 2-(2-methylsulfonyloxyethoxy)acetate.
What is the SMILES notation for prop-2-enyl 2-(2-methylsulfonyloxyethoxy)acetate?
The canonical SMILES for prop-2-enyl 2-(2-methylsulfonyloxyethoxy)acetate is C=CCOC(=O)COCCOS(C)(=O)=O.
What is the InChIKey of prop-2-enyl 2-(2-methylsulfonyloxyethoxy)acetate?
The InChIKey is UYOFXSVVOYVLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6S/c1-3-4-13-8(9)7-12-5-6-14-15(2,10)11/h3H,1,4-7H2,2H3.
What are the key properties of prop-2-enyl 2-(2-methylsulfonyloxyethoxy)acetate?
prop-2-enyl 2-(2-methylsulfonyloxyethoxy)acetate has a molecular weight of 238.26 g/mol, XLogP of -0.29, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(2-methylsulfonyloxyethoxy)acetate is sourced from PubChem (CID 161457397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).