trimethylsilyl (E)-3-(2,3-dimethoxyphenyl)-2-trimethylsilyloxyprop-2-enoate

C17H28O5Si2 — CID 5372919

IUPACtrimethylsilyl (E)-3-(2,3-dimethoxyphenyl)-2-trimethylsilyloxyprop-2-enoate
SMILESCOc1cccc(/C=C(/O[Si](C)(C)C)C(=O)O[Si](C)(C)C)c1OC
InChIInChI=1S/C17H28O5Si2/c1-19-14-11-9-10-13(16(14)20-2)12-15(21-23(3,4)5)17(18)22-24(6,7)8/h9-12H,1-8H3/b15-12+
InChIKeyNQFALXABUYVRDQ-NTCAYCPXSA-N
MW368.58 g/mol
LogP4.27
Rot. Bonds7

About trimethylsilyl (E)-3-(2,3-dimethoxyphenyl)-2-trimethylsilyloxyprop-2-enoate

trimethylsilyl (E)-3-(2,3-dimethoxyphenyl)-2-trimethylsilyloxyprop-2-enoate (PubChem CID 5372919) has the molecular formula C17H28O5Si2 and a molecular weight of 368.58 g/mol. Its IUPAC name is trimethylsilyl (E)-3-(2,3-dimethoxyphenyl)-2-trimethylsilyloxyprop-2-enoate.

Molecular Properties

Compound Nametrimethylsilyl (E)-3-(2,3-dimethoxyphenyl)-2-trimethylsilyloxyprop-2-enoate
PubChem CID5372919
Molecular FormulaC17H28O5Si2
Molecular Weight368.58 g/mol
Exact Mass368.15
IUPAC Nametrimethylsilyl (E)-3-(2,3-dimethoxyphenyl)-2-trimethylsilyloxyprop-2-enoate
SMILESCOc1cccc(/C=C(/O[Si](C)(C)C)C(=O)O[Si](C)(C)C)c1OC
InChIInChI=1S/C17H28O5Si2/c1-19-14-11-9-10-13(16(14)20-2)12-15(21-23(3,4)5)17(18)22-24(6,7)8/h9-12H,1-8H3/b15-12+
InChIKeyNQFALXABUYVRDQ-NTCAYCPXSA-N
XLogP4.27
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.58
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

trimethylsilyl (E)-2,3-bis(2-methoxyphenyl)prop-2-enoate
CID 10594452
trimethylsilyl 2-(2,3-dimethoxyphenyl)acetate
CID 553370
methyl (E)-2-cyano-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 6138999
methyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate
CID 10867868
4-[(Z)-1-(2,3-dimethoxyphenyl)but-1-en-2-yl]pyridine
CID 5354786
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
(Z)-3-(2,3-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid
CID 83951414
N-[(E)-2-(2,3-dimethoxyphenyl)-1-pyridin-4-ylethenyl]formamide
CID 19595460
(E)-3-(2,3-dimethoxyphenyl)prop-2-en-1-ol
CID 67913122
(E)-3-(2-acetyloxy-3-methoxyphenyl)-2-methylprop-2-enoic acid
CID 170873188
(2,3-dimethoxyphenyl)methylidene-(methylcarbamothioylamino)azanium
CID 3542081
(Z)-3-(2,3-dimethoxyphenyl)-2-(methoxymethyl)prop-2-enenitrile
CID 10823527

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (E)-3-(2,3-dimethoxyphenyl)-2-trimethylsilyloxyprop-2-enoate?
The IUPAC name of trimethylsilyl (E)-3-(2,3-dimethoxyphenyl)-2-trimethylsilyloxyprop-2-enoate (CID 5372919) is trimethylsilyl (E)-3-(2,3-dimethoxyphenyl)-2-trimethylsilyloxyprop-2-enoate.
What is the SMILES notation for trimethylsilyl (E)-3-(2,3-dimethoxyphenyl)-2-trimethylsilyloxyprop-2-enoate?
The canonical SMILES for trimethylsilyl (E)-3-(2,3-dimethoxyphenyl)-2-trimethylsilyloxyprop-2-enoate is COc1cccc(/C=C(/O[Si](C)(C)C)C(=O)O[Si](C)(C)C)c1OC.
What is the InChIKey of trimethylsilyl (E)-3-(2,3-dimethoxyphenyl)-2-trimethylsilyloxyprop-2-enoate?
The InChIKey is NQFALXABUYVRDQ-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H28O5Si2/c1-19-14-11-9-10-13(16(14)20-2)12-15(21-23(3,4)5)17(18)22-24(6,7)8/h9-12H,1-8H3/b15-12+.
What are the key properties of trimethylsilyl (E)-3-(2,3-dimethoxyphenyl)-2-trimethylsilyloxyprop-2-enoate?
trimethylsilyl (E)-3-(2,3-dimethoxyphenyl)-2-trimethylsilyloxyprop-2-enoate has a molecular weight of 368.58 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (E)-3-(2,3-dimethoxyphenyl)-2-trimethylsilyloxyprop-2-enoate is sourced from PubChem (CID 5372919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).