2-(Trimethylsilylmethyl)allyl acetate

C9H18O2SiCAS 72047-94-0186.33 g/mol

Open in Covalent MOL file
OOSi
AlkeneEster

Properties

Molecular formula
C9H18O2Si
Molar mass
186.33 g/mol
Exact mass
186.1076 Da
logP
2.44Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
72047-94-0
SMILES
CC(=O)OCC(=C)C[Si](C)(C)C
InChIKey
IKQWABMHZKGCLX-UHFFFAOYSA-N
InChI
InChI=1S/C9H18O2Si/c1-8(6-11-9(2)10)7-12(3,4)5/h1,6-7H2,2-5H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-(Trimethylsilylmethyl)allyl acetate

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

(Trimethylsilyl)methyl acetate2917-65-952 % similar Methallyl acetate820-71-350 % similar 1,3-Diacetoxyacetone6946-10-745 % similar 1-(Acetyloxy)-2-propanone592-20-144 % similar Acetoxyacetic acid13831-30-642 % similar 2-(Acetyloxy)acetyl chloride13831-31-741 % similar cis-1,4-Diacetoxy-2-butene25260-60-041 % similar Glycol diacetate111-55-740 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 3-(trimethylsilyl)-4-pentenoate185411-12-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook