ethyl (E)-3-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropoxy]phenyl]prop-2-enoate

C27H38O5Si — CID 153399419

IUPACethyl (E)-3-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropoxy]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccccc1OCC(COCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H38O5Si/c1-7-30-26(28)18-17-23-15-11-12-16-25(23)31-21-24(32-33(5,6)27(2,3)4)20-29-19-22-13-9-8-10-14-22/h8-18,24H,7,19-21H2,1-6H3/b18-17+
InChIKeyGZUXXPIJHKKBPH-ISLYRVAYSA-N
MW470.68 g/mol
LogP6.25
Rot. Bonds12

About ethyl (E)-3-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropoxy]phenyl]prop-2-enoate

ethyl (E)-3-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropoxy]phenyl]prop-2-enoate (PubChem CID 153399419) has the molecular formula C27H38O5Si and a molecular weight of 470.68 g/mol. Its IUPAC name is ethyl (E)-3-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropoxy]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropoxy]phenyl]prop-2-enoate
PubChem CID153399419
Molecular FormulaC27H38O5Si
Molecular Weight470.68 g/mol
Exact Mass470.25
IUPAC Nameethyl (E)-3-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropoxy]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccccc1OCC(COCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H38O5Si/c1-7-30-26(28)18-17-23-15-11-12-16-25(23)31-21-24(32-33(5,6)27(2,3)4)20-29-19-22-13-9-8-10-14-22/h8-18,24H,7,19-21H2,1-6H3/b18-17+
InChIKeyGZUXXPIJHKKBPH-ISLYRVAYSA-N
XLogP6.25
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.68
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-5-phenylmethoxypentan-2-one
CID 85424805
ethyl (E)-3-(2-heptoxyphenyl)prop-2-enoate
CID 69051271
ethyl (E)-3-(2-butoxyphenyl)prop-2-enoate
CID 102534694
ethyl 3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 140807744
tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
CID 140735332
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate
CID 11222352
3-[2-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]prop-2-enoic acid
CID 175151116
[(2R)-2-ethylhexyl] (E)-3-(2-phenylmethoxyphenyl)prop-2-enoate
CID 134837892
ethyl (Z,4R)-4-methyl-5-phenylmethoxypent-2-enoate
CID 11253675
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-phenylnon-2-enoate
CID 134835436
ethyl 3-[2-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
CID 169481272
ethyl 3-(2-phenylmethoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 90905721

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropoxy]phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropoxy]phenyl]prop-2-enoate (CID 153399419) is ethyl (E)-3-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropoxy]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropoxy]phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropoxy]phenyl]prop-2-enoate is CCOC(=O)/C=C/c1ccccc1OCC(COCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E)-3-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropoxy]phenyl]prop-2-enoate?
The InChIKey is GZUXXPIJHKKBPH-ISLYRVAYSA-N. The full InChI is InChI=1S/C27H38O5Si/c1-7-30-26(28)18-17-23-15-11-12-16-25(23)31-21-24(32-33(5,6)27(2,3)4)20-29-19-22-13-9-8-10-14-22/h8-18,24H,7,19-21H2,1-6H3/b18-17+.
What are the key properties of ethyl (E)-3-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropoxy]phenyl]prop-2-enoate?
ethyl (E)-3-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropoxy]phenyl]prop-2-enoate has a molecular weight of 470.68 g/mol, XLogP of 6.25, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropoxy]phenyl]prop-2-enoate is sourced from PubChem (CID 153399419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).