[(4E,6Z)-8-[tert-butyl(dimethyl)silyl]oxyocta-4,6-dienyl] 2,2-dimethylpropanoate

C19H36O3Si — CID 10065871

IUPAC[(4E,6Z)-8-[tert-butyl(dimethyl)silyl]oxyocta-4,6-dienyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCC/C=C/C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O3Si/c1-18(2,3)17(20)21-15-13-11-9-10-12-14-16-22-23(7,8)19(4,5)6/h9-10,12,14H,11,13,15-16H2,1-8H3/b10-9+,14-12-
InChIKeyQQDHZTHBSQTJIS-MVFBISMYSA-N
MW340.58 g/mol
LogP5.49
Rot. Bonds8

About [(4E,6Z)-8-[tert-butyl(dimethyl)silyl]oxyocta-4,6-dienyl] 2,2-dimethylpropanoate

[(4E,6Z)-8-[tert-butyl(dimethyl)silyl]oxyocta-4,6-dienyl] 2,2-dimethylpropanoate (PubChem CID 10065871) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is [(4E,6Z)-8-[tert-butyl(dimethyl)silyl]oxyocta-4,6-dienyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(4E,6Z)-8-[tert-butyl(dimethyl)silyl]oxyocta-4,6-dienyl] 2,2-dimethylpropanoate
PubChem CID10065871
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name[(4E,6Z)-8-[tert-butyl(dimethyl)silyl]oxyocta-4,6-dienyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCC/C=C/C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O3Si/c1-18(2,3)17(20)21-15-13-11-9-10-12-14-16-22-23(7,8)19(4,5)6/h9-10,12,14H,11,13,15-16H2,1-8H3/b10-9+,14-12-
InChIKeyQQDHZTHBSQTJIS-MVFBISMYSA-N
XLogP5.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.49
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

[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate
CID 134946270
[(E)-7-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-enyl] acetate
CID 58918255
[(3Z,5E)-1-[tert-butyl(dimethyl)silyl]oxynona-3,5-dien-4-yl] 2,2-dimethylpropanoate
CID 24850677
[4-[Tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohexa-2,4-dien-1-yl]methyl 2,2-dimethylpropanoate
CID 44127228
[(E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylidenenon-5-enyl] acetate
CID 102216395
[(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate
CID 102486405
4-[[(2E,4E)-hexa-2,4-dienoxy]-dimethylsilyl]pent-4-enyl acetate
CID 134861149
[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-enyl] 2,2-dimethylpropanoate
CID 134881042
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
methyl (5Z,8Z,11Z,14Z,16E,18R)-18-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14,16-pentaenoate
CID 138982538
ethyl (2E,4E)-6,6-dimethyl-8-tri(propan-2-yl)silyloxyocta-2,4-dienoate
CID 10904689

Frequently Asked Questions

What is the IUPAC name of [(4E,6Z)-8-[tert-butyl(dimethyl)silyl]oxyocta-4,6-dienyl] 2,2-dimethylpropanoate?
The IUPAC name of [(4E,6Z)-8-[tert-butyl(dimethyl)silyl]oxyocta-4,6-dienyl] 2,2-dimethylpropanoate (CID 10065871) is [(4E,6Z)-8-[tert-butyl(dimethyl)silyl]oxyocta-4,6-dienyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(4E,6Z)-8-[tert-butyl(dimethyl)silyl]oxyocta-4,6-dienyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(4E,6Z)-8-[tert-butyl(dimethyl)silyl]oxyocta-4,6-dienyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCCC/C=C/C=C\CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4E,6Z)-8-[tert-butyl(dimethyl)silyl]oxyocta-4,6-dienyl] 2,2-dimethylpropanoate?
The InChIKey is QQDHZTHBSQTJIS-MVFBISMYSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-18(2,3)17(20)21-15-13-11-9-10-12-14-16-22-23(7,8)19(4,5)6/h9-10,12,14H,11,13,15-16H2,1-8H3/b10-9+,14-12-.
What are the key properties of [(4E,6Z)-8-[tert-butyl(dimethyl)silyl]oxyocta-4,6-dienyl] 2,2-dimethylpropanoate?
[(4E,6Z)-8-[tert-butyl(dimethyl)silyl]oxyocta-4,6-dienyl] 2,2-dimethylpropanoate has a molecular weight of 340.58 g/mol, XLogP of 5.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E,6Z)-8-[tert-butyl(dimethyl)silyl]oxyocta-4,6-dienyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10065871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).