ethyl (E)-8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate

C16H32O3Si — CID 11370058

IUPACethyl (E)-8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate
SMILESCCOC(=O)CC/C=C/CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-7-18-15(17)13-11-9-8-10-12-14-19-20(5,6)16(2,3)4/h8-9H,7,10-14H2,1-6H3/b9-8+
InChIKeyIOJKSQYCCKWMNC-CMDGGOBGSA-N
MW300.52 g/mol
LogP4.69
Rot. Bonds9

About ethyl (E)-8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate

ethyl (E)-8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate (PubChem CID 11370058) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is ethyl (E)-8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate.

Molecular Properties

Compound Nameethyl (E)-8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate
PubChem CID11370058
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Nameethyl (E)-8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate
SMILESCCOC(=O)CC/C=C/CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-7-18-15(17)13-11-9-8-10-12-14-19-20(5,6)16(2,3)4/h8-9H,7,10-14H2,1-6H3/b9-8+
InChIKeyIOJKSQYCCKWMNC-CMDGGOBGSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.69
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Docosahexaenoic acid ethyl ester
CID 9831416
4,7,10,13,16,19-Docosahexaenoic acid ethyl ester
CID 6381521
Ethyl 4,7,10,13,16,19-docosahexaenoate
CID 121839
[(E)-7-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-enyl] acetate
CID 58918255
Butyl 4,7,10,13,16,19-docosahexaenoate
CID 123582940
cis-4,7,10,13,16,19-Docosahexaenoic acid, trimethylsilyl ester
CID 91696460
cis-4,7,10,13,16,19-Docosahexaenoic acid, tert-butyldimethylsilyl ester
CID 91697182
cis-5,8,11,14,17-Eicosapentaenoic acid, tert-butyldimethylsilyl ester
CID 91697183
methyl (E,7E)-7-(triethylsilylmethylidene)undec-4-enoate
CID 11393179
[(E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylidenenon-5-enyl] acetate
CID 102216395
[(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate
CID 102486405
Methyl (e)-8-[t-butyl(dimethyl)silyloxy]oct-5-enoate
CID 132281217

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate?
The IUPAC name of ethyl (E)-8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate (CID 11370058) is ethyl (E)-8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate.
What is the SMILES notation for ethyl (E)-8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate?
The canonical SMILES for ethyl (E)-8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate is CCOC(=O)CC/C=C/CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E)-8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate?
The InChIKey is IOJKSQYCCKWMNC-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-7-18-15(17)13-11-9-8-10-12-14-19-20(5,6)16(2,3)4/h8-9H,7,10-14H2,1-6H3/b9-8+.
What are the key properties of ethyl (E)-8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate?
ethyl (E)-8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate has a molecular weight of 300.52 g/mol, XLogP of 4.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate is sourced from PubChem (CID 11370058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).