2-ethoxyethyl (E)-3-thiophen-2-ylprop-2-enoate

C11H14O3S — CID 78788566

IUPAC2-ethoxyethyl (E)-3-thiophen-2-ylprop-2-enoate
SMILESCCOCCOC(=O)/C=C/c1cccs1
InChIInChI=1S/C11H14O3S/c1-2-13-7-8-14-11(12)6-5-10-4-3-9-15-10/h3-6,9H,2,7-8H2,1H3/b6-5+
InChIKeyNWXOMOHJVZRAND-AATRIKPKSA-N
MW226.30 g/mol
LogP2.34
Rot. Bonds6

About 2-ethoxyethyl (E)-3-thiophen-2-ylprop-2-enoate

2-ethoxyethyl (E)-3-thiophen-2-ylprop-2-enoate (PubChem CID 78788566) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-ethoxyethyl (E)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name2-ethoxyethyl (E)-3-thiophen-2-ylprop-2-enoate
PubChem CID78788566
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name2-ethoxyethyl (E)-3-thiophen-2-ylprop-2-enoate
SMILESCCOCCOC(=O)/C=C/c1cccs1
InChIInChI=1S/C11H14O3S/c1-2-13-7-8-14-11(12)6-5-10-4-3-9-15-10/h3-6,9H,2,7-8H2,1H3/b6-5+
InChIKeyNWXOMOHJVZRAND-AATRIKPKSA-N
XLogP2.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylsulfanylethyl (E)-3-thiophen-2-ylprop-2-enoate
CID 78790183
(dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate
CID 122223996
[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 100994517
[2-[benzyl(methyl)amino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2355389
[2-(N-methylanilino)-2-oxoethyl] 3-thiophen-2-ylprop-2-enoate
CID 5023945
2-ethoxyethyl (E)-3-(3-methylphenyl)prop-2-enoate
CID 78832150
ethyl 4-[(Z)-3-thiophen-2-ylprop-2-enoyl]piperazine-1-carboxylate
CID 92919452
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-thiophen-2-ylprop-2-enoate
CID 3994895
(E)-N-[2-[4-(2-ethoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 18409151
(E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride
CID 88528301
(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 137442894
(4-methylphenyl) 3-thiophen-2-ylprop-2-enoate
CID 4202391

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl (E)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of 2-ethoxyethyl (E)-3-thiophen-2-ylprop-2-enoate (CID 78788566) is 2-ethoxyethyl (E)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for 2-ethoxyethyl (E)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for 2-ethoxyethyl (E)-3-thiophen-2-ylprop-2-enoate is CCOCCOC(=O)/C=C/c1cccs1.
What is the InChIKey of 2-ethoxyethyl (E)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is NWXOMOHJVZRAND-AATRIKPKSA-N. The full InChI is InChI=1S/C11H14O3S/c1-2-13-7-8-14-11(12)6-5-10-4-3-9-15-10/h3-6,9H,2,7-8H2,1H3/b6-5+.
What are the key properties of 2-ethoxyethyl (E)-3-thiophen-2-ylprop-2-enoate?
2-ethoxyethyl (E)-3-thiophen-2-ylprop-2-enoate has a molecular weight of 226.30 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl (E)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 78788566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).