ethyl (2Z,4E)-6-acetyloxy-2-fluoro-4-methylhexa-2,4-dienoate

C11H15FO4 — CID 13018677

IUPACethyl (2Z,4E)-6-acetyloxy-2-fluoro-4-methylhexa-2,4-dienoate
SMILESCCOC(=O)/C(F)=C/C(C)=C/COC(C)=O
InChIInChI=1S/C11H15FO4/c1-4-15-11(14)10(12)7-8(2)5-6-16-9(3)13/h5,7H,4,6H2,1-3H3/b8-5+,10-7-
InChIKeyLVSKXCKCXNHUNB-HAMFBJRISA-N
MW230.23 g/mol
LogP1.91
Rot. Bonds5

About ethyl (2Z,4E)-6-acetyloxy-2-fluoro-4-methylhexa-2,4-dienoate

ethyl (2Z,4E)-6-acetyloxy-2-fluoro-4-methylhexa-2,4-dienoate (PubChem CID 13018677) has the molecular formula C11H15FO4 and a molecular weight of 230.23 g/mol. Its IUPAC name is ethyl (2Z,4E)-6-acetyloxy-2-fluoro-4-methylhexa-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2Z,4E)-6-acetyloxy-2-fluoro-4-methylhexa-2,4-dienoate
PubChem CID13018677
Molecular FormulaC11H15FO4
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Nameethyl (2Z,4E)-6-acetyloxy-2-fluoro-4-methylhexa-2,4-dienoate
SMILESCCOC(=O)/C(F)=C/C(C)=C/COC(C)=O
InChIInChI=1S/C11H15FO4/c1-4-15-11(14)10(12)7-8(2)5-6-16-9(3)13/h5,7H,4,6H2,1-3H3/b8-5+,10-7-
InChIKeyLVSKXCKCXNHUNB-HAMFBJRISA-N
XLogP1.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z,4E)-6-acetyloxy-2-fluoro-4-methylhexa-2,4-dienoate?
The IUPAC name of ethyl (2Z,4E)-6-acetyloxy-2-fluoro-4-methylhexa-2,4-dienoate (CID 13018677) is ethyl (2Z,4E)-6-acetyloxy-2-fluoro-4-methylhexa-2,4-dienoate.
What is the SMILES notation for ethyl (2Z,4E)-6-acetyloxy-2-fluoro-4-methylhexa-2,4-dienoate?
The canonical SMILES for ethyl (2Z,4E)-6-acetyloxy-2-fluoro-4-methylhexa-2,4-dienoate is CCOC(=O)/C(F)=C/C(C)=C/COC(C)=O.
What is the InChIKey of ethyl (2Z,4E)-6-acetyloxy-2-fluoro-4-methylhexa-2,4-dienoate?
The InChIKey is LVSKXCKCXNHUNB-HAMFBJRISA-N. The full InChI is InChI=1S/C11H15FO4/c1-4-15-11(14)10(12)7-8(2)5-6-16-9(3)13/h5,7H,4,6H2,1-3H3/b8-5+,10-7-.
What are the key properties of ethyl (2Z,4E)-6-acetyloxy-2-fluoro-4-methylhexa-2,4-dienoate?
ethyl (2Z,4E)-6-acetyloxy-2-fluoro-4-methylhexa-2,4-dienoate has a molecular weight of 230.23 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z,4E)-6-acetyloxy-2-fluoro-4-methylhexa-2,4-dienoate is sourced from PubChem (CID 13018677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).