2-(tert-Butyldimethylsiloxy)pent-2-en-4-one

C₁₁H₂₂O₂SiCAS 69404-97-3214.38 g/mol

Open in Covalent MOL file

Alkene Ketone Silyl ether

Properties

Molecular formula: C₁₁H₂₂O₂Si
Molar mass: 214.38 g/mol
Exact mass: 214.1389 Da
logP: 3.50Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

69404-97-3

SMILES

C/C(=C\C(=O)C)/O[Si](C)(C)C(C)(C)C

InChIKey

ZRVOCNOYAJIAAP-CSKARUKUSA-N

InChI

InChI=1S/C11H22O2Si/c1-9(12)8-10(2)13-14(6,7)11(3,4)5/h8H,1-7H3/b10-8+

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Names and synonyms

1 names

2-(t-Butyldimethylsiloxy)pent-2-en-4-one

Work with 2-(tert-Butyldimethylsiloxy)pent-2-en-4-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-[(Trimethylsilyl)oxy]-3-penten-2-one13257-81-359 % similar 4-Methoxy-3-penten-2-one2845-83-245 % similar Methyl 3-[(trimethylsilyl)oxy]-2-butenoate62269-44-735 % similar Mesityl oxide141-79-734 % similar 2-((tert-Butyldimethylsilyl)oxy)acetaldehyde102191-92-434 % similar 4-(tert-Butyldimethylsilyloxy)cyclohexa&55145-45-433 % similar 4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]dihydro-2H-pyran-2,6(3H)-dione91424-40-733 % similar O-(tert-Butyldimethylsilyl)hydroxylamine41879-39-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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