trimethylsilyl (E)-3-(4-methoxyphenyl)-2-trimethylsilyloxyprop-2-enoate

C16H26O4Si2 — CID 5372917

IUPACtrimethylsilyl (E)-3-(4-methoxyphenyl)-2-trimethylsilyloxyprop-2-enoate
SMILESCOc1ccc(/C=C(/O[Si](C)(C)C)C(=O)O[Si](C)(C)C)cc1
InChIInChI=1S/C16H26O4Si2/c1-18-14-10-8-13(9-11-14)12-15(19-21(2,3)4)16(17)20-22(5,6)7/h8-12H,1-7H3/b15-12+
InChIKeyIAKVNQLFHQCXOF-NTCAYCPXSA-N
MW338.55 g/mol
LogP4.27
Rot. Bonds6

About trimethylsilyl (E)-3-(4-methoxyphenyl)-2-trimethylsilyloxyprop-2-enoate

trimethylsilyl (E)-3-(4-methoxyphenyl)-2-trimethylsilyloxyprop-2-enoate (PubChem CID 5372917) has the molecular formula C16H26O4Si2 and a molecular weight of 338.55 g/mol. Its IUPAC name is trimethylsilyl (E)-3-(4-methoxyphenyl)-2-trimethylsilyloxyprop-2-enoate.

Molecular Properties

Compound Nametrimethylsilyl (E)-3-(4-methoxyphenyl)-2-trimethylsilyloxyprop-2-enoate
PubChem CID5372917
Molecular FormulaC16H26O4Si2
Molecular Weight338.55 g/mol
Exact Mass338.14
IUPAC Nametrimethylsilyl (E)-3-(4-methoxyphenyl)-2-trimethylsilyloxyprop-2-enoate
SMILESCOc1ccc(/C=C(/O[Si](C)(C)C)C(=O)O[Si](C)(C)C)cc1
InChIInChI=1S/C16H26O4Si2/c1-18-14-10-8-13(9-11-14)12-15(19-21(2,3)4)16(17)20-22(5,6)7/h8-12H,1-7H3/b15-12+
InChIKeyIAKVNQLFHQCXOF-NTCAYCPXSA-N
XLogP4.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.55
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-methoxy-3-(4-methoxyphenyl)prop-2-enamide
CID 165349278
methyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate
CID 70545359
(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
CID 11019723
methyl 3-(4-methoxyphenyl)-2-(2-oxoethoxy)prop-2-enoate
CID 141015073
methyl (2E)-2-[(4-methoxyphenyl)methylidene]-4-oxopentanoate
CID 16664758
2-methoxycarbonyl-3-(4-methoxyphenyl)prop-2-enoic acid
CID 3653010
(2E,3E)-2,3-bis[(4-methoxyphenyl)methylidene]butanedial
CID 12694230
2-carbonoperoxoyl-3-(4-methoxyphenyl)prop-2-enoic acid
CID 173209680
1-(2,2-dibromoethenyl)-4-methoxybenzene
CID 10859278
methyl (E,4E)-2-methoxy-4-[(4-methoxyphenyl)methylidene]hex-2-enoate
CID 139785089
methyl N-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]carbamate
CID 2337569
methyl (E)-3-(4-methoxyphenyl)-2-(pentafluoro-λ6-sulfanyl)prop-2-enoate
CID 132510965

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (E)-3-(4-methoxyphenyl)-2-trimethylsilyloxyprop-2-enoate?
The IUPAC name of trimethylsilyl (E)-3-(4-methoxyphenyl)-2-trimethylsilyloxyprop-2-enoate (CID 5372917) is trimethylsilyl (E)-3-(4-methoxyphenyl)-2-trimethylsilyloxyprop-2-enoate.
What is the SMILES notation for trimethylsilyl (E)-3-(4-methoxyphenyl)-2-trimethylsilyloxyprop-2-enoate?
The canonical SMILES for trimethylsilyl (E)-3-(4-methoxyphenyl)-2-trimethylsilyloxyprop-2-enoate is COc1ccc(/C=C(/O[Si](C)(C)C)C(=O)O[Si](C)(C)C)cc1.
What is the InChIKey of trimethylsilyl (E)-3-(4-methoxyphenyl)-2-trimethylsilyloxyprop-2-enoate?
The InChIKey is IAKVNQLFHQCXOF-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H26O4Si2/c1-18-14-10-8-13(9-11-14)12-15(19-21(2,3)4)16(17)20-22(5,6)7/h8-12H,1-7H3/b15-12+.
What are the key properties of trimethylsilyl (E)-3-(4-methoxyphenyl)-2-trimethylsilyloxyprop-2-enoate?
trimethylsilyl (E)-3-(4-methoxyphenyl)-2-trimethylsilyloxyprop-2-enoate has a molecular weight of 338.55 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (E)-3-(4-methoxyphenyl)-2-trimethylsilyloxyprop-2-enoate is sourced from PubChem (CID 5372917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).