[(E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylidenenon-5-enyl] acetate

C18H34O3Si — CID 102216395

IUPAC[(E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylidenenon-5-enyl] acetate
SMILESC=C(/C=C/CCCCOC(C)=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-16(12-10-8-9-11-14-20-17(2)19)13-15-21-22(6,7)18(3,4)5/h10,12H,1,8-9,11,13-15H2,2-7H3/b12-10+
InChIKeyQDGYFPMIJUAEPV-ZRDIBKRKSA-N
MW326.55 g/mol
LogP5.24
Rot. Bonds10

About [(E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylidenenon-5-enyl] acetate

[(E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylidenenon-5-enyl] acetate (PubChem CID 102216395) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is [(E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylidenenon-5-enyl] acetate.

Molecular Properties

Compound Name[(E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylidenenon-5-enyl] acetate
PubChem CID102216395
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name[(E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylidenenon-5-enyl] acetate
SMILESC=C(/C=C/CCCCOC(C)=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-16(12-10-8-9-11-14-20-17(2)19)13-15-21-22(6,7)18(3,4)5/h10,12H,1,8-9,11,13-15H2,2-7H3/b12-10+
InChIKeyQDGYFPMIJUAEPV-ZRDIBKRKSA-N
XLogP5.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E)-7-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-enyl] acetate
CID 58918255
ethyl (4E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-4,6-dienoate
CID 134918433
ethyl (4E,6Z,10S)-10-[tert-butyl(dimethyl)silyl]oxyundeca-4,6-dienoate
CID 134980795
[(E)-4-methylidene-7-trimethylsilylhept-5-enyl] acetate
CID 134982109
[(3Z)-8-methyl-4-(trimethylsilylmethyl)nona-3,7-dienyl] 2,2-dimethylpropanoate
CID 10947317
[7-[Tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-enyl] acetate
CID 72462459
(E)-ethyl 7-((tert-butyldimethylsilyl)oxy)-4-methylnon-4-enoate
CID 131744080
ethyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-4-enoate
CID 140693491
ethyl (E,7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-en-2-ynoate
CID 140866958
Ethyl 4-(2-triethylsilyloxyethenyl)hex-4-enoate
CID 173004820
Ethyl 7-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-4-enoate
CID 173603628
[(4E,6Z)-8-[tert-butyl(dimethyl)silyl]oxyocta-4,6-dienyl] 2,2-dimethylpropanoate
CID 10065871

Frequently Asked Questions

What is the IUPAC name of [(E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylidenenon-5-enyl] acetate?
The IUPAC name of [(E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylidenenon-5-enyl] acetate (CID 102216395) is [(E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylidenenon-5-enyl] acetate.
What is the SMILES notation for [(E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylidenenon-5-enyl] acetate?
The canonical SMILES for [(E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylidenenon-5-enyl] acetate is C=C(/C=C/CCCCOC(C)=O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylidenenon-5-enyl] acetate?
The InChIKey is QDGYFPMIJUAEPV-ZRDIBKRKSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-16(12-10-8-9-11-14-20-17(2)19)13-15-21-22(6,7)18(3,4)5/h10,12H,1,8-9,11,13-15H2,2-7H3/b12-10+.
What are the key properties of [(E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylidenenon-5-enyl] acetate?
[(E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylidenenon-5-enyl] acetate has a molecular weight of 326.55 g/mol, XLogP of 5.24, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylidenenon-5-enyl] acetate is sourced from PubChem (CID 102216395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).