[(2Z,4E)-5-ethylsulfanylpenta-2,4-dienyl] prop-2-enoate

C10H14O2S — CID 88529737

IUPAC[(2Z,4E)-5-ethylsulfanylpenta-2,4-dienyl] prop-2-enoate
SMILESC=CC(=O)OC/C=C\C=C\SCC
InChIInChI=1S/C10H14O2S/c1-3-10(11)12-8-6-5-7-9-13-4-2/h3,5-7,9H,1,4,8H2,2H3/b6-5-,9-7+
InChIKeyBOIPGONSNQXMIF-BZWSEGBZSA-N
MW198.29 g/mol
LogP2.54
Rot. Bonds6

About [(2Z,4E)-5-ethylsulfanylpenta-2,4-dienyl] prop-2-enoate

[(2Z,4E)-5-ethylsulfanylpenta-2,4-dienyl] prop-2-enoate (PubChem CID 88529737) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is [(2Z,4E)-5-ethylsulfanylpenta-2,4-dienyl] prop-2-enoate.

Molecular Properties

Compound Name[(2Z,4E)-5-ethylsulfanylpenta-2,4-dienyl] prop-2-enoate
PubChem CID88529737
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name[(2Z,4E)-5-ethylsulfanylpenta-2,4-dienyl] prop-2-enoate
SMILESC=CC(=O)OC/C=C\C=C\SCC
InChIInChI=1S/C10H14O2S/c1-3-10(11)12-8-6-5-7-9-13-4-2/h3,5-7,9H,1,4,8H2,2H3/b6-5-,9-7+
InChIKeyBOIPGONSNQXMIF-BZWSEGBZSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2E)-penta-2,4-dienyl] prop-2-enoate
CID 88501874
[(Z)-3-chloroprop-2-enyl] prop-2-enoate
CID 5354525
3-hydroxyprop-2-enyl prop-2-enoate;methane
CID 173438743
methane;prop-2-enyl prop-2-enoate
CID 87568259
but-2-enyl prop-2-enoate;ethene;prop-2-enoic acid
CID 174361149
buta-1,3-diene;but-2-enyl prop-2-enoate;prop-2-enoic acid
CID 175280821
ethyl prop-2-enoate;sulfane
CID 157093783
ethenamine;ethyl prop-2-enoate
CID 22022699
buta-1,3-diene;prop-2-enyl prop-2-enoate
CID 87253709
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;hydrochloride
CID 87359594
3-pentoxyprop-2-enyl prop-2-enoate
CID 173309535

Frequently Asked Questions

What is the IUPAC name of [(2Z,4E)-5-ethylsulfanylpenta-2,4-dienyl] prop-2-enoate?
The IUPAC name of [(2Z,4E)-5-ethylsulfanylpenta-2,4-dienyl] prop-2-enoate (CID 88529737) is [(2Z,4E)-5-ethylsulfanylpenta-2,4-dienyl] prop-2-enoate.
What is the SMILES notation for [(2Z,4E)-5-ethylsulfanylpenta-2,4-dienyl] prop-2-enoate?
The canonical SMILES for [(2Z,4E)-5-ethylsulfanylpenta-2,4-dienyl] prop-2-enoate is C=CC(=O)OC/C=C\C=C\SCC.
What is the InChIKey of [(2Z,4E)-5-ethylsulfanylpenta-2,4-dienyl] prop-2-enoate?
The InChIKey is BOIPGONSNQXMIF-BZWSEGBZSA-N. The full InChI is InChI=1S/C10H14O2S/c1-3-10(11)12-8-6-5-7-9-13-4-2/h3,5-7,9H,1,4,8H2,2H3/b6-5-,9-7+.
What are the key properties of [(2Z,4E)-5-ethylsulfanylpenta-2,4-dienyl] prop-2-enoate?
[(2Z,4E)-5-ethylsulfanylpenta-2,4-dienyl] prop-2-enoate has a molecular weight of 198.29 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4E)-5-ethylsulfanylpenta-2,4-dienyl] prop-2-enoate is sourced from PubChem (CID 88529737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).