2-(triethyl-λ4-sulfanyl)ethyl prop-2-enoate

C11H22O2S — CID 87905906

IUPAC2-(triethyl-λ4-sulfanyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCS(CC)(CC)CC
InChIInChI=1S/C11H22O2S/c1-5-11(12)13-9-10-14(6-2,7-3)8-4/h5H,1,6-10H2,2-4H3
InChIKeyGIIYYLQENLTZLY-UHFFFAOYSA-N
MW218.36 g/mol
LogP2.58
Rot. Bonds7

About 2-(triethyl-λ4-sulfanyl)ethyl prop-2-enoate

2-(triethyl-λ4-sulfanyl)ethyl prop-2-enoate (PubChem CID 87905906) has the molecular formula C11H22O2S and a molecular weight of 218.36 g/mol. Its IUPAC name is 2-(triethyl-λ4-sulfanyl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(triethyl-λ4-sulfanyl)ethyl prop-2-enoate
PubChem CID87905906
Molecular FormulaC11H22O2S
Molecular Weight218.36 g/mol
Exact Mass218.13
IUPAC Name2-(triethyl-λ4-sulfanyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCS(CC)(CC)CC
InChIInChI=1S/C11H22O2S/c1-5-11(12)13-9-10-14(6-2,7-3)8-4/h5H,1,6-10H2,2-4H3
InChIKeyGIIYYLQENLTZLY-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

lithium;hydride;2-prop-2-enoyloxyethanesulfonic acid
CID 173036299
calcium bis(2-prop-2-enoyloxyethanesulfonate)
CID 142701395
magnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid
CID 173327637
sodium 2-prop-2-enoyloxyethanesulfonate
CID 23682460
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3-(trimethyl-λ4-sulfanyl)propyl prop-2-enoate
CID 150380231
carbamic acid;propyl prop-2-enoate
CID 87571569
ethyl prop-2-enoate;methanesulfonic acid
CID 159762482
3-hydroxypropyl prop-2-enoate;propane-1-sulfonic acid
CID 159679579
potassium 3-prop-2-enoyloxypropane-1-sulfonic acid
CID 22045911
4-prop-2-enoyloxybutane-1-sulfonic acid
CID 19833800
2-aminoethyl prop-2-enoate;ethyl hydrogen sulfate
CID 174928512

Frequently Asked Questions

What is the IUPAC name of 2-(triethyl-λ4-sulfanyl)ethyl prop-2-enoate?
The IUPAC name of 2-(triethyl-λ4-sulfanyl)ethyl prop-2-enoate (CID 87905906) is 2-(triethyl-λ4-sulfanyl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(triethyl-λ4-sulfanyl)ethyl prop-2-enoate?
The canonical SMILES for 2-(triethyl-λ4-sulfanyl)ethyl prop-2-enoate is C=CC(=O)OCCS(CC)(CC)CC.
What is the InChIKey of 2-(triethyl-λ4-sulfanyl)ethyl prop-2-enoate?
The InChIKey is GIIYYLQENLTZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2S/c1-5-11(12)13-9-10-14(6-2,7-3)8-4/h5H,1,6-10H2,2-4H3.
What are the key properties of 2-(triethyl-λ4-sulfanyl)ethyl prop-2-enoate?
2-(triethyl-λ4-sulfanyl)ethyl prop-2-enoate has a molecular weight of 218.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triethyl-λ4-sulfanyl)ethyl prop-2-enoate is sourced from PubChem (CID 87905906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).