ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-phenylnon-2-enoate

C23H38O3Si — CID 134835436

IUPACethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-phenylnon-2-enoate
SMILESCCOC(=O)/C=C/C[C@@H](CCCCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H38O3Si/c1-7-25-22(24)19-13-18-21(26-27(5,6)23(2,3)4)17-12-11-16-20-14-9-8-10-15-20/h8-10,13-15,19,21H,7,11-12,16-18H2,1-6H3/b19-13+/t21-/m1/s1
InChIKeyLGXYOJMNCYSYAZ-UBXANZILSA-N
MW390.64 g/mol
LogP6.30
Rot. Bonds11

About ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-phenylnon-2-enoate

ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-phenylnon-2-enoate (PubChem CID 134835436) has the molecular formula C23H38O3Si and a molecular weight of 390.64 g/mol. Its IUPAC name is ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-phenylnon-2-enoate.

Molecular Properties

Compound Nameethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-phenylnon-2-enoate
PubChem CID134835436
Molecular FormulaC23H38O3Si
Molecular Weight390.64 g/mol
Exact Mass390.26
IUPAC Nameethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-phenylnon-2-enoate
SMILESCCOC(=O)/C=C/C[C@@H](CCCCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H38O3Si/c1-7-25-22(24)19-13-18-21(26-27(5,6)23(2,3)4)17-12-11-16-20-14-9-8-10-15-20/h8-10,13-15,19,21H,7,11-12,16-18H2,1-6H3/b19-13+/t21-/m1/s1
InChIKeyLGXYOJMNCYSYAZ-UBXANZILSA-N
XLogP6.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.64
LogP ≤ 56.30
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (2Z,5R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-9-oxo-11-phenylundeca-2,7-dienoate
CID 134833844
tert-butyl-dimethyl-[(Z)-1-phenyloct-5-en-3-yl]oxysilane;carbon dioxide
CID 158278224
ethyl (E)-9-phenylnon-2-enoate
CID 10753852
ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pent-2-enoate
CID 11703319
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dichloro-5-phenylpent-2-enoate
CID 102343029
(3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial
CID 101138351
ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533
ethyl (E)-3-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropoxy]phenyl]prop-2-enoate
CID 153399419
ethyl (E,5S)-5-amino-5-phenylpent-2-enoate
CID 134945701
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol
CID 139246891
[(E,2R)-6-ethoxy-6-oxohex-4-en-2-yl] (E,5S,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]oct-2-enoate
CID 24756277
3-[bis[2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]propyl (2S)-2-amino-4-phenylbutanoate
CID 171814486

Frequently Asked Questions

What is the IUPAC name of ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-phenylnon-2-enoate?
The IUPAC name of ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-phenylnon-2-enoate (CID 134835436) is ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-phenylnon-2-enoate.
What is the SMILES notation for ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-phenylnon-2-enoate?
The canonical SMILES for ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-phenylnon-2-enoate is CCOC(=O)/C=C/C[C@@H](CCCCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-phenylnon-2-enoate?
The InChIKey is LGXYOJMNCYSYAZ-UBXANZILSA-N. The full InChI is InChI=1S/C23H38O3Si/c1-7-25-22(24)19-13-18-21(26-27(5,6)23(2,3)4)17-12-11-16-20-14-9-8-10-15-20/h8-10,13-15,19,21H,7,11-12,16-18H2,1-6H3/b19-13+/t21-/m1/s1.
What are the key properties of ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-phenylnon-2-enoate?
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-phenylnon-2-enoate has a molecular weight of 390.64 g/mol, XLogP of 6.30, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-phenylnon-2-enoate is sourced from PubChem (CID 134835436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).