[(6Z)-2-fluoro-3-methyl-8-trimethylsilylocta-1,6-dien-3-yl] acetate

C14H25FO2Si — CID 11747712

IUPAC[(6Z)-2-fluoro-3-methyl-8-trimethylsilylocta-1,6-dien-3-yl] acetate
SMILESC=C(F)C(C)(CC/C=C\C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C14H25FO2Si/c1-12(15)14(3,17-13(2)16)10-8-7-9-11-18(4,5)6/h7,9H,1,8,10-11H2,2-6H3/b9-7-
InChIKeyGBDWORMUWMWCNJ-CLFYSBASSA-N
MW272.44 g/mol
LogP4.47
Rot. Bonds7

About [(6Z)-2-fluoro-3-methyl-8-trimethylsilylocta-1,6-dien-3-yl] acetate

[(6Z)-2-fluoro-3-methyl-8-trimethylsilylocta-1,6-dien-3-yl] acetate (PubChem CID 11747712) has the molecular formula C14H25FO2Si and a molecular weight of 272.44 g/mol. Its IUPAC name is [(6Z)-2-fluoro-3-methyl-8-trimethylsilylocta-1,6-dien-3-yl] acetate.

Molecular Properties

Compound Name[(6Z)-2-fluoro-3-methyl-8-trimethylsilylocta-1,6-dien-3-yl] acetate
PubChem CID11747712
Molecular FormulaC14H25FO2Si
Molecular Weight272.44 g/mol
Exact Mass272.16
IUPAC Name[(6Z)-2-fluoro-3-methyl-8-trimethylsilylocta-1,6-dien-3-yl] acetate
SMILESC=C(F)C(C)(CC/C=C\C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C14H25FO2Si/c1-12(15)14(3,17-13(2)16)10-8-7-9-11-18(4,5)6/h7,9H,1,8,10-11H2,2-6H3/b9-7-
InChIKeyGBDWORMUWMWCNJ-CLFYSBASSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methylnon-6-en-3-yl acetate
CID 131887994
trimethyl-[(Z)-4-trimethylsilylbut-2-enyl]silane
CID 10976510
(2,7-dimethyl-3,6-dimethylidenehexadeca-1,9-dien-7-yl) acetate
CID 173280179
ethyl (E,3R)-3-methyl-2-oxo-8-trimethylsilyloct-6-enoate
CID 102360606
N-[(E)-5-trimethylsilylpent-3-enyl]but-3-enamide
CID 121015201
[(2R)-2-methyl-1-oxohex-5-en-2-yl] acetate
CID 11829866
[(3E)-2-methyl-6-methylideneocta-3,7-dien-2-yl] acetate
CID 12783294
[(2E,10E)-7,7-dimethyltrideca-2,10-dienyl] acetate
CID 135274081
trimethyl-[4-[(5E)-7-trimethylsilylhepta-1,5-dien-2-yl]phenyl]silane
CID 11045325
(1-amino-2-methyl-1-oxobutan-2-yl) acetate
CID 87348306
(3-fluoro-2-phenylbut-3-en-2-yl) acetate
CID 10910741
(3,7-dimethyl-6-oxoocta-1,7-dien-3-yl) acetate
CID 78065069

Frequently Asked Questions

What is the IUPAC name of [(6Z)-2-fluoro-3-methyl-8-trimethylsilylocta-1,6-dien-3-yl] acetate?
The IUPAC name of [(6Z)-2-fluoro-3-methyl-8-trimethylsilylocta-1,6-dien-3-yl] acetate (CID 11747712) is [(6Z)-2-fluoro-3-methyl-8-trimethylsilylocta-1,6-dien-3-yl] acetate.
What is the SMILES notation for [(6Z)-2-fluoro-3-methyl-8-trimethylsilylocta-1,6-dien-3-yl] acetate?
The canonical SMILES for [(6Z)-2-fluoro-3-methyl-8-trimethylsilylocta-1,6-dien-3-yl] acetate is C=C(F)C(C)(CC/C=C\C[Si](C)(C)C)OC(C)=O.
What is the InChIKey of [(6Z)-2-fluoro-3-methyl-8-trimethylsilylocta-1,6-dien-3-yl] acetate?
The InChIKey is GBDWORMUWMWCNJ-CLFYSBASSA-N. The full InChI is InChI=1S/C14H25FO2Si/c1-12(15)14(3,17-13(2)16)10-8-7-9-11-18(4,5)6/h7,9H,1,8,10-11H2,2-6H3/b9-7-.
What are the key properties of [(6Z)-2-fluoro-3-methyl-8-trimethylsilylocta-1,6-dien-3-yl] acetate?
[(6Z)-2-fluoro-3-methyl-8-trimethylsilylocta-1,6-dien-3-yl] acetate has a molecular weight of 272.44 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6Z)-2-fluoro-3-methyl-8-trimethylsilylocta-1,6-dien-3-yl] acetate is sourced from PubChem (CID 11747712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).