2-methoxyethyl (E)-4-oxo-7-tris(trimethylsilyloxy)silylhept-2-enoate

C19H42O7Si4 — CID 59738486

IUPAC2-methoxyethyl (E)-4-oxo-7-tris(trimethylsilyloxy)silylhept-2-enoate
SMILESCOCCOC(=O)/C=C/C(=O)CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H42O7Si4/c1-22-15-16-23-19(21)14-13-18(20)12-11-17-30(24-27(2,3)4,25-28(5,6)7)26-29(8,9)10/h13-14H,11-12,15-17H2,1-10H3/b14-13+
InChIKeyPLROMXJAAWFZLH-BUHFOSPRSA-N
MW494.88 g/mol
LogP4.57
Rot. Bonds15

About 2-methoxyethyl (E)-4-oxo-7-tris(trimethylsilyloxy)silylhept-2-enoate

2-methoxyethyl (E)-4-oxo-7-tris(trimethylsilyloxy)silylhept-2-enoate (PubChem CID 59738486) has the molecular formula C19H42O7Si4 and a molecular weight of 494.88 g/mol. Its IUPAC name is 2-methoxyethyl (E)-4-oxo-7-tris(trimethylsilyloxy)silylhept-2-enoate.

Molecular Properties

Compound Name2-methoxyethyl (E)-4-oxo-7-tris(trimethylsilyloxy)silylhept-2-enoate
PubChem CID59738486
Molecular FormulaC19H42O7Si4
Molecular Weight494.88 g/mol
Exact Mass494.20
IUPAC Name2-methoxyethyl (E)-4-oxo-7-tris(trimethylsilyloxy)silylhept-2-enoate
SMILESCOCCOC(=O)/C=C/C(=O)CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H42O7Si4/c1-22-15-16-23-19(21)14-13-18(20)12-11-17-30(24-27(2,3)4,25-28(5,6)7)26-29(8,9)10/h13-14H,11-12,15-17H2,1-10H3/b14-13+
InChIKeyPLROMXJAAWFZLH-BUHFOSPRSA-N
XLogP4.57
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.88
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (E)-4-oxo-7-tris(trimethylsilyloxy)silylhept-2-enoate?
The IUPAC name of 2-methoxyethyl (E)-4-oxo-7-tris(trimethylsilyloxy)silylhept-2-enoate (CID 59738486) is 2-methoxyethyl (E)-4-oxo-7-tris(trimethylsilyloxy)silylhept-2-enoate.
What is the SMILES notation for 2-methoxyethyl (E)-4-oxo-7-tris(trimethylsilyloxy)silylhept-2-enoate?
The canonical SMILES for 2-methoxyethyl (E)-4-oxo-7-tris(trimethylsilyloxy)silylhept-2-enoate is COCCOC(=O)/C=C/C(=O)CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-methoxyethyl (E)-4-oxo-7-tris(trimethylsilyloxy)silylhept-2-enoate?
The InChIKey is PLROMXJAAWFZLH-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H42O7Si4/c1-22-15-16-23-19(21)14-13-18(20)12-11-17-30(24-27(2,3)4,25-28(5,6)7)26-29(8,9)10/h13-14H,11-12,15-17H2,1-10H3/b14-13+.
What are the key properties of 2-methoxyethyl (E)-4-oxo-7-tris(trimethylsilyloxy)silylhept-2-enoate?
2-methoxyethyl (E)-4-oxo-7-tris(trimethylsilyloxy)silylhept-2-enoate has a molecular weight of 494.88 g/mol, XLogP of 4.57, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (E)-4-oxo-7-tris(trimethylsilyloxy)silylhept-2-enoate is sourced from PubChem (CID 59738486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).