(E)-6-[tert-butyl(diphenyl)silyl]oxy-N,N-diethylhex-2-enamide

C26H37NO2Si — CID 10526317

IUPAC(E)-6-[tert-butyl(diphenyl)silyl]oxy-N,N-diethylhex-2-enamide
SMILESCCN(CC)C(=O)/C=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H37NO2Si/c1-6-27(7-2)25(28)21-15-10-16-22-29-30(26(3,4)5,23-17-11-8-12-18-23)24-19-13-9-14-20-24/h8-9,11-15,17-21H,6-7,10,16,22H2,1-5H3/b21-15+
InChIKeyGCSBUHUPSDMZHQ-RCCKNPSSSA-N
MW423.67 g/mol
LogP4.77
Rot. Bonds10

About (E)-6-[tert-butyl(diphenyl)silyl]oxy-N,N-diethylhex-2-enamide

(E)-6-[tert-butyl(diphenyl)silyl]oxy-N,N-diethylhex-2-enamide (PubChem CID 10526317) has the molecular formula C26H37NO2Si and a molecular weight of 423.67 g/mol. Its IUPAC name is (E)-6-[tert-butyl(diphenyl)silyl]oxy-N,N-diethylhex-2-enamide.

Molecular Properties

Compound Name(E)-6-[tert-butyl(diphenyl)silyl]oxy-N,N-diethylhex-2-enamide
PubChem CID10526317
Molecular FormulaC26H37NO2Si
Molecular Weight423.67 g/mol
Exact Mass423.26
IUPAC Name(E)-6-[tert-butyl(diphenyl)silyl]oxy-N,N-diethylhex-2-enamide
SMILESCCN(CC)C(=O)/C=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H37NO2Si/c1-6-27(7-2)25(28)21-15-10-16-22-29-30(26(3,4)5,23-17-11-8-12-18-23)24-19-13-9-14-20-24/h8-9,11-15,17-21H,6-7,10,16,22H2,1-5H3/b21-15+
InChIKeyGCSBUHUPSDMZHQ-RCCKNPSSSA-N
XLogP4.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.67
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

Tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate
CID 101218123
[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 134887002
(E)-3-[dimethyl(phenyl)silyl]-N,N-diethylhept-2-enamide
CID 134950259
(E,5R)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methyloct-2-enamide
CID 49782309
N-Methyl,N-(tert-butyldiphenylsilyloxy)acrylamide
CID 10925830
N-[3-[diethoxy(phenyl)silyl]propyl]-N,2-dimethylprop-2-enamide
CID 19758115
1-[[Ethenyl(diphenyl)silyl]oxymethyl]pyrrole-2,5-dione
CID 20591160
N-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-ylprop-2-enamide
CID 54110973
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydropyridin-6-one
CID 59674742
(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylocta-2,6-dienamide
CID 59743061
(2E,6E)-9-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylnona-2,6-dienamide
CID 59743081
1-[1-[Tert-butyl(diphenyl)silyl]oxypropyl]azetidin-2-one
CID 67947023

Frequently Asked Questions

What is the IUPAC name of (E)-6-[tert-butyl(diphenyl)silyl]oxy-N,N-diethylhex-2-enamide?
The IUPAC name of (E)-6-[tert-butyl(diphenyl)silyl]oxy-N,N-diethylhex-2-enamide (CID 10526317) is (E)-6-[tert-butyl(diphenyl)silyl]oxy-N,N-diethylhex-2-enamide.
What is the SMILES notation for (E)-6-[tert-butyl(diphenyl)silyl]oxy-N,N-diethylhex-2-enamide?
The canonical SMILES for (E)-6-[tert-butyl(diphenyl)silyl]oxy-N,N-diethylhex-2-enamide is CCN(CC)C(=O)/C=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E)-6-[tert-butyl(diphenyl)silyl]oxy-N,N-diethylhex-2-enamide?
The InChIKey is GCSBUHUPSDMZHQ-RCCKNPSSSA-N. The full InChI is InChI=1S/C26H37NO2Si/c1-6-27(7-2)25(28)21-15-10-16-22-29-30(26(3,4)5,23-17-11-8-12-18-23)24-19-13-9-14-20-24/h8-9,11-15,17-21H,6-7,10,16,22H2,1-5H3/b21-15+.
What are the key properties of (E)-6-[tert-butyl(diphenyl)silyl]oxy-N,N-diethylhex-2-enamide?
(E)-6-[tert-butyl(diphenyl)silyl]oxy-N,N-diethylhex-2-enamide has a molecular weight of 423.67 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[tert-butyl(diphenyl)silyl]oxy-N,N-diethylhex-2-enamide is sourced from PubChem (CID 10526317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).