1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxyethylidene]-3,3-dimethylpentanedioate

C18H34O5Si — CID 10021340

IUPAC1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxyethylidene]-3,3-dimethylpentanedioate
SMILESCCOC(=O)/C(=C(\C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(=O)OC
InChIInChI=1S/C18H34O5Si/c1-11-22-16(20)15(18(6,7)12-14(19)21-8)13(2)23-24(9,10)17(3,4)5/h11-12H2,1-10H3/b15-13-
InChIKeyHPXMNBRMYZDARH-SQFISAMPSA-N
MW358.55 g/mol
LogP4.43
Rot. Bonds7

About 1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxyethylidene]-3,3-dimethylpentanedioate

1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxyethylidene]-3,3-dimethylpentanedioate (PubChem CID 10021340) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is 1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxyethylidene]-3,3-dimethylpentanedioate.

Molecular Properties

Compound Name1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxyethylidene]-3,3-dimethylpentanedioate
PubChem CID10021340
Molecular FormulaC18H34O5Si
Molecular Weight358.55 g/mol
Exact Mass358.22
IUPAC Name1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxyethylidene]-3,3-dimethylpentanedioate
SMILESCCOC(=O)/C(=C(\C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(=O)OC
InChIInChI=1S/C18H34O5Si/c1-11-22-16(20)15(18(6,7)12-14(19)21-8)13(2)23-24(9,10)17(3,4)5/h11-12H2,1-10H3/b15-13-
InChIKeyHPXMNBRMYZDARH-SQFISAMPSA-N
XLogP4.43
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxyethylidene]-3,3-dimethylpentanedioate?
The IUPAC name of 1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxyethylidene]-3,3-dimethylpentanedioate (CID 10021340) is 1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxyethylidene]-3,3-dimethylpentanedioate.
What is the SMILES notation for 1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxyethylidene]-3,3-dimethylpentanedioate?
The canonical SMILES for 1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxyethylidene]-3,3-dimethylpentanedioate is CCOC(=O)/C(=C(\C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(=O)OC.
What is the InChIKey of 1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxyethylidene]-3,3-dimethylpentanedioate?
The InChIKey is HPXMNBRMYZDARH-SQFISAMPSA-N. The full InChI is InChI=1S/C18H34O5Si/c1-11-22-16(20)15(18(6,7)12-14(19)21-8)13(2)23-24(9,10)17(3,4)5/h11-12H2,1-10H3/b15-13-.
What are the key properties of 1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxyethylidene]-3,3-dimethylpentanedioate?
1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxyethylidene]-3,3-dimethylpentanedioate has a molecular weight of 358.55 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxyethylidene]-3,3-dimethylpentanedioate is sourced from PubChem (CID 10021340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).