(E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhex-4-enamide

C24H33NO3Si — CID 176897382

IUPAC(E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhex-4-enamide
SMILESC/C=C/[C@@H](CC(=O)N(C)OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33NO3Si/c1-7-14-20(19-23(26)25(5)27-6)28-29(24(2,3)4,21-15-10-8-11-16-21)22-17-12-9-13-18-22/h7-18,20H,19H2,1-6H3/b14-7+/t20-/m0/s1
InChIKeyUOAYFXXSSUJABY-FZXOMJPYSA-N
MW411.62 g/mol
LogP3.92
Rot. Bonds8

About (E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhex-4-enamide

(E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhex-4-enamide (PubChem CID 176897382) has the molecular formula C24H33NO3Si and a molecular weight of 411.62 g/mol. Its IUPAC name is (E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhex-4-enamide.

Molecular Properties

Compound Name(E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhex-4-enamide
PubChem CID176897382
Molecular FormulaC24H33NO3Si
Molecular Weight411.62 g/mol
Exact Mass411.22
IUPAC Name(E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhex-4-enamide
SMILESC/C=C/[C@@H](CC(=O)N(C)OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33NO3Si/c1-7-14-20(19-23(26)25(5)27-6)28-29(24(2,3)4,21-15-10-8-11-16-21)22-17-12-9-13-18-22/h7-18,20H,19H2,1-6H3/b14-7+/t20-/m0/s1
InChIKeyUOAYFXXSSUJABY-FZXOMJPYSA-N
XLogP3.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.62
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhex-4-enamide?
The IUPAC name of (E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhex-4-enamide (CID 176897382) is (E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhex-4-enamide.
What is the SMILES notation for (E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhex-4-enamide?
The canonical SMILES for (E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhex-4-enamide is C/C=C/[C@@H](CC(=O)N(C)OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhex-4-enamide?
The InChIKey is UOAYFXXSSUJABY-FZXOMJPYSA-N. The full InChI is InChI=1S/C24H33NO3Si/c1-7-14-20(19-23(26)25(5)27-6)28-29(24(2,3)4,21-15-10-8-11-16-21)22-17-12-9-13-18-22/h7-18,20H,19H2,1-6H3/b14-7+/t20-/m0/s1.
What are the key properties of (E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhex-4-enamide?
(E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhex-4-enamide has a molecular weight of 411.62 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhex-4-enamide is sourced from PubChem (CID 176897382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).