ethyl (5Z)-7-fluoro-4-methylideneocta-5,7-dienoate

C11H15FO2 — CID 166152910

IUPACethyl (5Z)-7-fluoro-4-methylideneocta-5,7-dienoate
SMILESC=C(F)/C=C\C(=C)CCC(=O)OCC
InChIInChI=1S/C11H15FO2/c1-4-14-11(13)8-6-9(2)5-7-10(3)12/h5,7H,2-4,6,8H2,1H3/b7-5-
InChIKeyLGLVYXMMWVRTHY-ALCCZGGFSA-N
MW198.24 g/mol
LogP2.93
Rot. Bonds6

About ethyl (5Z)-7-fluoro-4-methylideneocta-5,7-dienoate

ethyl (5Z)-7-fluoro-4-methylideneocta-5,7-dienoate (PubChem CID 166152910) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is ethyl (5Z)-7-fluoro-4-methylideneocta-5,7-dienoate.

Molecular Properties

Compound Nameethyl (5Z)-7-fluoro-4-methylideneocta-5,7-dienoate
PubChem CID166152910
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Nameethyl (5Z)-7-fluoro-4-methylideneocta-5,7-dienoate
SMILESC=C(F)/C=C\C(=C)CCC(=O)OCC
InChIInChI=1S/C11H15FO2/c1-4-14-11(13)8-6-9(2)5-7-10(3)12/h5,7H,2-4,6,8H2,1H3/b7-5-
InChIKeyLGLVYXMMWVRTHY-ALCCZGGFSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 13223493
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ethane;(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine
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1-O-ethyl 4-O-formyl butanedioate
CID 91193992
ethyl 10-fluoroundec-10-enoate
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ethyl 8-fluoro-6-methylidenedec-7-enoate
CID 91061406
(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine
CID 144685434
(3Z)-2-fluoro-5-methylidenedeca-1,3-diene
CID 143276668
ethyl (E)-4-ethylhex-4-enoate
CID 25229380
5-ethoxy-2-methylidene-5-oxopentanoic acid
CID 19745038
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CID 67333370

Frequently Asked Questions

What is the IUPAC name of ethyl (5Z)-7-fluoro-4-methylideneocta-5,7-dienoate?
The IUPAC name of ethyl (5Z)-7-fluoro-4-methylideneocta-5,7-dienoate (CID 166152910) is ethyl (5Z)-7-fluoro-4-methylideneocta-5,7-dienoate.
What is the SMILES notation for ethyl (5Z)-7-fluoro-4-methylideneocta-5,7-dienoate?
The canonical SMILES for ethyl (5Z)-7-fluoro-4-methylideneocta-5,7-dienoate is C=C(F)/C=C\C(=C)CCC(=O)OCC.
What is the InChIKey of ethyl (5Z)-7-fluoro-4-methylideneocta-5,7-dienoate?
The InChIKey is LGLVYXMMWVRTHY-ALCCZGGFSA-N. The full InChI is InChI=1S/C11H15FO2/c1-4-14-11(13)8-6-9(2)5-7-10(3)12/h5,7H,2-4,6,8H2,1H3/b7-5-.
What are the key properties of ethyl (5Z)-7-fluoro-4-methylideneocta-5,7-dienoate?
ethyl (5Z)-7-fluoro-4-methylideneocta-5,7-dienoate has a molecular weight of 198.24 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5Z)-7-fluoro-4-methylideneocta-5,7-dienoate is sourced from PubChem (CID 166152910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).