trimethylsilyl (E)-3-[3-methoxy-4-[3-methoxy-5-[(E)-3-oxo-3-trimethylsilyloxyprop-1-enyl]-2-trimethylsilyloxyphenoxy]phenyl]prop-2-enoate

C29H42O8Si3 — CID 10416187

IUPACtrimethylsilyl (E)-3-[3-methoxy-4-[3-methoxy-5-[(E)-3-oxo-3-trimethylsilyloxyprop-1-enyl]-2-trimethylsilyloxyphenoxy]phenyl]prop-2-enoate
SMILESCOc1cc(/C=C/C(=O)O[Si](C)(C)C)ccc1Oc1cc(/C=C/C(=O)O[Si](C)(C)C)cc(OC)c1O[Si](C)(C)C
InChIInChI=1S/C29H42O8Si3/c1-32-24-18-21(13-16-27(30)35-38(3,4)5)12-15-23(24)34-26-20-22(14-17-28(31)36-39(6,7)8)19-25(33-2)29(26)37-40(9,10)11/h12-20H,1-11H3/b16-13+,17-14+
InChIKeyUWZGXSNGODADIN-DISAMGIASA-N
MW602.91 g/mol
LogP7.49
Rot. Bonds12

About trimethylsilyl (E)-3-[3-methoxy-4-[3-methoxy-5-[(E)-3-oxo-3-trimethylsilyloxyprop-1-enyl]-2-trimethylsilyloxyphenoxy]phenyl]prop-2-enoate

trimethylsilyl (E)-3-[3-methoxy-4-[3-methoxy-5-[(E)-3-oxo-3-trimethylsilyloxyprop-1-enyl]-2-trimethylsilyloxyphenoxy]phenyl]prop-2-enoate (PubChem CID 10416187) has the molecular formula C29H42O8Si3 and a molecular weight of 602.91 g/mol. Its IUPAC name is trimethylsilyl (E)-3-[3-methoxy-4-[3-methoxy-5-[(E)-3-oxo-3-trimethylsilyloxyprop-1-enyl]-2-trimethylsilyloxyphenoxy]phenyl]prop-2-enoate.

Molecular Properties

Compound Nametrimethylsilyl (E)-3-[3-methoxy-4-[3-methoxy-5-[(E)-3-oxo-3-trimethylsilyloxyprop-1-enyl]-2-trimethylsilyloxyphenoxy]phenyl]prop-2-enoate
PubChem CID10416187
Molecular FormulaC29H42O8Si3
Molecular Weight602.91 g/mol
Exact Mass602.22
IUPAC Nametrimethylsilyl (E)-3-[3-methoxy-4-[3-methoxy-5-[(E)-3-oxo-3-trimethylsilyloxyprop-1-enyl]-2-trimethylsilyloxyphenoxy]phenyl]prop-2-enoate
SMILESCOc1cc(/C=C/C(=O)O[Si](C)(C)C)ccc1Oc1cc(/C=C/C(=O)O[Si](C)(C)C)cc(OC)c1O[Si](C)(C)C
InChIInChI=1S/C29H42O8Si3/c1-32-24-18-21(13-16-27(30)35-38(3,4)5)12-15-23(24)34-26-20-22(14-17-28(31)36-39(6,7)8)19-25(33-2)29(26)37-40(9,10)11/h12-20H,1-11H3/b16-13+,17-14+
InChIKeyUWZGXSNGODADIN-DISAMGIASA-N
XLogP7.49
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.91
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze trimethylsilyl (E)-3-[3-methoxy-4-[3-methoxy-5-[(E)-3-oxo-3-trimethylsilyloxyprop-1-enyl]-2-trimethylsilyloxyphenoxy]phenyl]prop-2-enoate with MolForge

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Related Compounds

3-(3-methoxy-4-trimethylsilyloxyphenyl)prop-2-enoic acid
CID 71444927
2-methylprop-2-enyl (E)-3-(4-methoxy-3-trimethylsilyloxyphenyl)prop-2-enoate
CID 5352628
3-(3-methoxy-4-phenoxyphenyl)prop-2-enoic acid
CID 172757581
(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-one;ethane
CID 143217008
nonyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 164675970
hexyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 142627715
dodecyl 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 71347266
3-[4-[2-acetyloxy-5-(3-acetyloxyprop-1-enyl)-3-methoxyphenoxy]-3-methoxyphenyl]prop-2-enyl acetate
CID 162915010
(E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 22347490
(2-amino-2-oxoethyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 6163287
trimethylsilyl 3,5-dimethoxy-4-trimethylsilyloxybenzoate
CID 629939
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (E)-3-[3-methoxy-4-[3-methoxy-5-[(E)-3-oxo-3-trimethylsilyloxyprop-1-enyl]-2-trimethylsilyloxyphenoxy]phenyl]prop-2-enoate?
The IUPAC name of trimethylsilyl (E)-3-[3-methoxy-4-[3-methoxy-5-[(E)-3-oxo-3-trimethylsilyloxyprop-1-enyl]-2-trimethylsilyloxyphenoxy]phenyl]prop-2-enoate (CID 10416187) is trimethylsilyl (E)-3-[3-methoxy-4-[3-methoxy-5-[(E)-3-oxo-3-trimethylsilyloxyprop-1-enyl]-2-trimethylsilyloxyphenoxy]phenyl]prop-2-enoate.
What is the SMILES notation for trimethylsilyl (E)-3-[3-methoxy-4-[3-methoxy-5-[(E)-3-oxo-3-trimethylsilyloxyprop-1-enyl]-2-trimethylsilyloxyphenoxy]phenyl]prop-2-enoate?
The canonical SMILES for trimethylsilyl (E)-3-[3-methoxy-4-[3-methoxy-5-[(E)-3-oxo-3-trimethylsilyloxyprop-1-enyl]-2-trimethylsilyloxyphenoxy]phenyl]prop-2-enoate is COc1cc(/C=C/C(=O)O[Si](C)(C)C)ccc1Oc1cc(/C=C/C(=O)O[Si](C)(C)C)cc(OC)c1O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (E)-3-[3-methoxy-4-[3-methoxy-5-[(E)-3-oxo-3-trimethylsilyloxyprop-1-enyl]-2-trimethylsilyloxyphenoxy]phenyl]prop-2-enoate?
The InChIKey is UWZGXSNGODADIN-DISAMGIASA-N. The full InChI is InChI=1S/C29H42O8Si3/c1-32-24-18-21(13-16-27(30)35-38(3,4)5)12-15-23(24)34-26-20-22(14-17-28(31)36-39(6,7)8)19-25(33-2)29(26)37-40(9,10)11/h12-20H,1-11H3/b16-13+,17-14+.
What are the key properties of trimethylsilyl (E)-3-[3-methoxy-4-[3-methoxy-5-[(E)-3-oxo-3-trimethylsilyloxyprop-1-enyl]-2-trimethylsilyloxyphenoxy]phenyl]prop-2-enoate?
trimethylsilyl (E)-3-[3-methoxy-4-[3-methoxy-5-[(E)-3-oxo-3-trimethylsilyloxyprop-1-enyl]-2-trimethylsilyloxyphenoxy]phenyl]prop-2-enoate has a molecular weight of 602.91 g/mol, XLogP of 7.49, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (E)-3-[3-methoxy-4-[3-methoxy-5-[(E)-3-oxo-3-trimethylsilyloxyprop-1-enyl]-2-trimethylsilyloxyphenoxy]phenyl]prop-2-enoate is sourced from PubChem (CID 10416187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).