chempirical

Methyl 3-(trimethylsilyl)-4-pentenoate

C9H18O2SiCAS 185411-12-5186.33 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

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

Identifiers

CAS number
185411-12-5
SMILES
COC(=O)CC(C=C)[Si](C)(C)C
InChIKey
DJXDHDYQDMVTPZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H18O2Si/c1-6-8(12(3,4)5)7-9(10)11-2/h6,8H,1,7H2,2-5H3

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Work with Methyl 3-(trimethylsilyl)-4-pentenoate

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

Methyl (-)-3-hydroxybutyrate3976-69-044 % similar Methyl (+)-3-hydroxybutanoate53562-86-044 % similar Dimethyl 3-methylglutarate19013-37-744 % similar Methyl isovalerate556-24-144 % similar Methyl 3,3-dimethoxypropionate7424-91-144 % similar Methyl 3-butenoate3724-55-843 % similar 1,5-Dimethyl 3-hydroxypentanedioate7250-55-743 % similar Methyl 5-hexenoate2396-80-742 % similar

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

Same formula

2-(Trimethylsilylmethyl)allyl acetate72047-94-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook