(3E)-4-(1,2-Dimethyl-6-([2-(trimethylsilyl)ethoxy]methoxy)cyclohexyl)-3-buten-2-one
Basic information
- CAS
119018-20-1- Standard SMILES
CC(=O)C=CC1(C)C(C)CCCC1OCOCC[Si](C)(C)C- InChIKey
YSKBQKHQCSNFEA-UHFFFAOYSA-N- Molecular formula
- C18H34O3Si
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.22772148
Names & identifiers
- Preferred name
- (3E)-4-(1,2-Dimethyl-6-([2-(trimethylsilyl)ethoxy]methoxy)cyclohexyl)-3-buten-2-one
- IUPAC
- 4-[1,2-dimethyl-6-(2-trimethylsilylethoxymethoxy)cyclohexyl]but-3-en-2-one
- English name
- (3E)-4-(1,2-Dimethyl-6-([2-(trimethylsilyl)ethoxy]methoxy)cyclohexyl)- 3-buten-2-one
- Molecular formula
- C18H34O3Si
- Molecular weight
- 326.55
Names & synonyms
119018-20-14-[1,2-Dimethyl-6-(2-trimethylsilylethoxymethoxy)cyclohexyl]but-3-en-2-oneDTXSID40339088(3E)-4-(1,2-Dimethyl-6-([2-(trimethylsilyl)ethoxy]methoxy)cyclohexyl)- 3-buten-2-one4-(1,2-Dimethyl-6-{[2-(trimethylsilyl)ethoxy]methoxy}cyclohexyl)but-3-en-2-one3-Buten-2-one, 4-[1,2-dimethyl-6-[[2-(trimethylsilyl)ethoxy]methoxy]cyclohexyl]-, [1α(E),2β,6α]- (9CI)
Database identifiers
- CAS
119018-20-1- PubChem CID
- 553376
- DTXSID
DTXSID40339088
Properties
Computed structural properties
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- Boiling point
- 381.174 · 381.174±37.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.944 · 0.944±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Comptox DTXSID
- 40339088 · DTXSID40339088
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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