ethyl (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-2,6-dimethylocta-2,6-dienoate

C20H39NO3Si — CID 11111423

IUPACethyl (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-2,6-dimethylocta-2,6-dienoate
SMILESCCOC(=O)/C(C)=C/C(C/C(C)=C/CO[Si](C)(C)C(C)(C)C)N(C)C
InChIInChI=1S/C20H39NO3Si/c1-11-23-19(22)17(3)15-18(21(7)8)14-16(2)12-13-24-25(9,10)20(4,5)6/h12,15,18H,11,13-14H2,1-10H3/b16-12+,17-15+
InChIKeyOZPBRSSSBNZBOU-HTJJBPINSA-N
MW369.62 g/mol
LogP4.78
Rot. Bonds9

About ethyl (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-2,6-dimethylocta-2,6-dienoate

ethyl (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-2,6-dimethylocta-2,6-dienoate (PubChem CID 11111423) has the molecular formula C20H39NO3Si and a molecular weight of 369.62 g/mol. Its IUPAC name is ethyl (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-2,6-dimethylocta-2,6-dienoate.

Molecular Properties

Compound Nameethyl (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-2,6-dimethylocta-2,6-dienoate
PubChem CID11111423
Molecular FormulaC20H39NO3Si
Molecular Weight369.62 g/mol
Exact Mass369.27
IUPAC Nameethyl (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-2,6-dimethylocta-2,6-dienoate
SMILESCCOC(=O)/C(C)=C/C(C/C(C)=C/CO[Si](C)(C)C(C)(C)C)N(C)C
InChIInChI=1S/C20H39NO3Si/c1-11-23-19(22)17(3)15-18(21(7)8)14-16(2)12-13-24-25(9,10)20(4,5)6/h12,15,18H,11,13-14H2,1-10H3/b16-12+,17-15+
InChIKeyOZPBRSSSBNZBOU-HTJJBPINSA-N
XLogP4.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.62
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-2,6-dimethylocta-2,6-dienoate?
The IUPAC name of ethyl (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-2,6-dimethylocta-2,6-dienoate (CID 11111423) is ethyl (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-2,6-dimethylocta-2,6-dienoate.
What is the SMILES notation for ethyl (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-2,6-dimethylocta-2,6-dienoate?
The canonical SMILES for ethyl (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-2,6-dimethylocta-2,6-dienoate is CCOC(=O)/C(C)=C/C(C/C(C)=C/CO[Si](C)(C)C(C)(C)C)N(C)C.
What is the InChIKey of ethyl (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-2,6-dimethylocta-2,6-dienoate?
The InChIKey is OZPBRSSSBNZBOU-HTJJBPINSA-N. The full InChI is InChI=1S/C20H39NO3Si/c1-11-23-19(22)17(3)15-18(21(7)8)14-16(2)12-13-24-25(9,10)20(4,5)6/h12,15,18H,11,13-14H2,1-10H3/b16-12+,17-15+.
What are the key properties of ethyl (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-2,6-dimethylocta-2,6-dienoate?
ethyl (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-2,6-dimethylocta-2,6-dienoate has a molecular weight of 369.62 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-2,6-dimethylocta-2,6-dienoate is sourced from PubChem (CID 11111423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).