(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylocta-2,6-dienamide

C26H35NO3Si — CID 59743061

IUPAC(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylocta-2,6-dienamide
SMILESCON(C)C(=O)/C=C/CC/C=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H35NO3Si/c1-26(2,3)31(23-17-11-9-12-18-23,24-19-13-10-14-20-24)30-22-16-8-6-7-15-21-25(28)27(4)29-5/h8-21H,6-7,22H2,1-5H3/b16-8+,21-15+
InChIKeyLPDWGESTLKDKAM-UHCYEDLJSA-N
MW437.66 g/mol
LogP4.48
Rot. Bonds10

About (2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylocta-2,6-dienamide

(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylocta-2,6-dienamide (PubChem CID 59743061) has the molecular formula C26H35NO3Si and a molecular weight of 437.66 g/mol. Its IUPAC name is (2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylocta-2,6-dienamide.

Molecular Properties

Compound Name(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylocta-2,6-dienamide
PubChem CID59743061
Molecular FormulaC26H35NO3Si
Molecular Weight437.66 g/mol
Exact Mass437.24
IUPAC Name(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylocta-2,6-dienamide
SMILESCON(C)C(=O)/C=C/CC/C=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H35NO3Si/c1-26(2,3)31(23-17-11-9-12-18-23,24-19-13-10-14-20-24)30-22-16-8-6-7-15-21-25(28)27(4)29-5/h8-21H,6-7,22H2,1-5H3/b16-8+,21-15+
InChIKeyLPDWGESTLKDKAM-UHCYEDLJSA-N
XLogP4.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.66
LogP ≤ 54.48
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylocta-2,6-dienamide?
The IUPAC name of (2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylocta-2,6-dienamide (CID 59743061) is (2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylocta-2,6-dienamide.
What is the SMILES notation for (2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylocta-2,6-dienamide?
The canonical SMILES for (2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylocta-2,6-dienamide is CON(C)C(=O)/C=C/CC/C=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylocta-2,6-dienamide?
The InChIKey is LPDWGESTLKDKAM-UHCYEDLJSA-N. The full InChI is InChI=1S/C26H35NO3Si/c1-26(2,3)31(23-17-11-9-12-18-23,24-19-13-10-14-20-24)30-22-16-8-6-7-15-21-25(28)27(4)29-5/h8-21H,6-7,22H2,1-5H3/b16-8+,21-15+.
What are the key properties of (2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylocta-2,6-dienamide?
(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylocta-2,6-dienamide has a molecular weight of 437.66 g/mol, XLogP of 4.48, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylocta-2,6-dienamide is sourced from PubChem (CID 59743061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).