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

C11H22O2SiCAS 69404-97-3214.38 g/mol

Open in Covalent MOL file
OOSi
AlkeneKetoneSilyl 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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3
Double bonds
EE/Z, in SMILES order

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 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
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+

Weigh it out

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

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 3-(tert-Butyldimethylsiloxy)glutaric anhydride91424-40-733 % similar O-(tert-Butyldimethylsilyl)hydroxylamine41879-39-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook