ethyl (Z)-3-[(Z)-3-ethoxy-3-oxoprop-1-enyl]sulfanylprop-2-enoate

C10H14O4S — CID 6436527

IUPACethyl (Z)-3-[(Z)-3-ethoxy-3-oxoprop-1-enyl]sulfanylprop-2-enoate
SMILESCCOC(=O)/C=C\S/C=C\C(=O)OCC
InChIInChI=1S/C10H14O4S/c1-3-13-9(11)5-7-15-8-6-10(12)14-4-2/h5-8H,3-4H2,1-2H3/b7-5-,8-6-
InChIKeyWXIVZEGISIHXKT-SFECMWDFSA-N
MW230.28 g/mol
LogP1.87
Rot. Bonds6

About ethyl (Z)-3-[(Z)-3-ethoxy-3-oxoprop-1-enyl]sulfanylprop-2-enoate

ethyl (Z)-3-[(Z)-3-ethoxy-3-oxoprop-1-enyl]sulfanylprop-2-enoate (PubChem CID 6436527) has the molecular formula C10H14O4S and a molecular weight of 230.28 g/mol. Its IUPAC name is ethyl (Z)-3-[(Z)-3-ethoxy-3-oxoprop-1-enyl]sulfanylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-[(Z)-3-ethoxy-3-oxoprop-1-enyl]sulfanylprop-2-enoate
PubChem CID6436527
Molecular FormulaC10H14O4S
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Nameethyl (Z)-3-[(Z)-3-ethoxy-3-oxoprop-1-enyl]sulfanylprop-2-enoate
SMILESCCOC(=O)/C=C\S/C=C\C(=O)OCC
InChIInChI=1S/C10H14O4S/c1-3-13-9(11)5-7-15-8-6-10(12)14-4-2/h5-8H,3-4H2,1-2H3/b7-5-,8-6-
InChIKeyWXIVZEGISIHXKT-SFECMWDFSA-N
XLogP1.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (Z)-3-[(Z)-3-ethoxy-3-oxoprop-1-enyl]sulfanylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[(Z)-3-ethoxy-3-oxoprop-1-enyl]sulfanylprop-2-enoate?
The IUPAC name of ethyl (Z)-3-[(Z)-3-ethoxy-3-oxoprop-1-enyl]sulfanylprop-2-enoate (CID 6436527) is ethyl (Z)-3-[(Z)-3-ethoxy-3-oxoprop-1-enyl]sulfanylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-[(Z)-3-ethoxy-3-oxoprop-1-enyl]sulfanylprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-[(Z)-3-ethoxy-3-oxoprop-1-enyl]sulfanylprop-2-enoate is CCOC(=O)/C=C\S/C=C\C(=O)OCC.
What is the InChIKey of ethyl (Z)-3-[(Z)-3-ethoxy-3-oxoprop-1-enyl]sulfanylprop-2-enoate?
The InChIKey is WXIVZEGISIHXKT-SFECMWDFSA-N. The full InChI is InChI=1S/C10H14O4S/c1-3-13-9(11)5-7-15-8-6-10(12)14-4-2/h5-8H,3-4H2,1-2H3/b7-5-,8-6-.
What are the key properties of ethyl (Z)-3-[(Z)-3-ethoxy-3-oxoprop-1-enyl]sulfanylprop-2-enoate?
ethyl (Z)-3-[(Z)-3-ethoxy-3-oxoprop-1-enyl]sulfanylprop-2-enoate has a molecular weight of 230.28 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-[(Z)-3-ethoxy-3-oxoprop-1-enyl]sulfanylprop-2-enoate is sourced from PubChem (CID 6436527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).