ethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate

C15H28O3Si — CID 11150309

IUPACethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate
SMILESCCOC(=O)/C=C/C=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-7-17-14(16)12-10-8-9-11-13-18-19(5,6)15(2,3)4/h8-10,12H,7,11,13H2,1-6H3/b9-8+,12-10+
InChIKeySDIIMLAYHKXYJT-CDKJVOIVSA-N
MW284.47 g/mol
LogP4.07
Rot. Bonds7

About ethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate

ethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate (PubChem CID 11150309) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is ethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate
PubChem CID11150309
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Nameethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate
SMILESCCOC(=O)/C=C/C=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-7-17-14(16)12-10-8-9-11-13-18-19(5,6)15(2,3)4/h8-10,12H,7,11,13H2,1-6H3/b9-8+,12-10+
InChIKeySDIIMLAYHKXYJT-CDKJVOIVSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.07
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
ethyl (E)-2-fluoro-5-(tertbutyldimethylsilyloxy)-2-pentenoate
CID 59912784
ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate
CID 11186803
ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate
CID 11845191
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838010
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838011
3-[(E)-2-trimethylsilylethenyl]-2H-furan-5-one
CID 15261962
ethyl (E)-6-trimethylsilyloxyhex-2-enoate
CID 15947845
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134907379
[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate
CID 134946270
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(E)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-butenoic Acid Ethyl Ester
CID 10490523

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate?
The IUPAC name of ethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate (CID 11150309) is ethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate?
The canonical SMILES for ethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate is CCOC(=O)/C=C/C=C/CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate?
The InChIKey is SDIIMLAYHKXYJT-CDKJVOIVSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-7-17-14(16)12-10-8-9-11-13-18-19(5,6)15(2,3)4/h8-10,12H,7,11,13H2,1-6H3/b9-8+,12-10+.
What are the key properties of ethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate?
ethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate has a molecular weight of 284.47 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate is sourced from PubChem (CID 11150309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).