Agn-PC-0jsb40

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Basic information

CAS: 27750-80-7
Standard SMILES: COc1cc(C=CC(=O)O[Si](C)(C)C)cc(OC)c1O[Si](C)(C)C
InChIKey: LKLXWSPPLVNURP-UHFFFAOYSA-N
Molecular formula: C17H28O5Si2
Average molar mass: 368.6 g/mol
Monoisotopic mass: 368.14752706

Names & identifiers

Preferred name: Agn-PC-0jsb40
IUPAC: trimethylsilyl 3-(3,5-dimethoxy-4-trimethylsilyloxyphenyl)prop-2-enoate
English name: 3-[3,5-Dimethoxy-4-(trimethylsilyloxy)phenyl]propenoic acid trimethylsilyl ester
Molecular formula: C17H28O5Si2
Molecular weight: 368.57

Names & synonyms

AGN-PC-0JSB4027750-80-7DTXSID70335174trimethylsilyl 3-{3,5-dimethoxy-4-[(trimethylsilyl)oxy]phenyl}prop-2-enoateDi(trimethylsilyl)-sinapinsaeure3-[3,5-Dimethoxy-4-(trimethylsilyloxy)phenyl]propenoic acid trimethylsilyl ester2-Propenoic acid, 3-[3,5-dimethoxy-4-[(trimethylsilyl)oxy]phenyl]-, trimethylsilyl ester

Database identifiers

CAS: 27750-80-7
PubChem CID: 523282
DTXSID: DTXSID70335174

Properties

Computed structural properties

Topological polar surface area: 54 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 425

Physicochemical properties

Boiling point: 400.804 · 400.804±45.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.024 · 1.024±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

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Compound notes

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