5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]oxolan-2-one

C12H21F3O3Si — CID 54542353

IUPAC5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC(C1CCC(=O)O1)C(F)(F)F
InChIInChI=1S/C12H21F3O3Si/c1-11(2,3)19(4,5)18-10(12(13,14)15)8-6-7-9(16)17-8/h8,10H,6-7H2,1-5H3
InChIKeyZECUIVYSVFRLMA-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.64
Rot. Bonds3

About 5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]oxolan-2-one

5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]oxolan-2-one (PubChem CID 54542353) has the molecular formula C12H21F3O3Si and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]oxolan-2-one.

Molecular Properties

Compound Name5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]oxolan-2-one
PubChem CID54542353
Molecular FormulaC12H21F3O3Si
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC Name5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC(C1CCC(=O)O1)C(F)(F)F
InChIInChI=1S/C12H21F3O3Si/c1-11(2,3)19(4,5)18-10(12(13,14)15)8-6-7-9(16)17-8/h8,10H,6-7H2,1-5H3
InChIKeyZECUIVYSVFRLMA-UHFFFAOYSA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one
CID 10709198
(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one
CID 10732826
(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-one
CID 10499676
(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 10901006
6-Bromo-5-tert-butyldimethylsilyloxy-2,3,6-trideoxy-D-erythro-hexono-1,4-lactone
CID 91750941
(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl]oxolan-2-one
CID 58570960
(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
CID 176961730
(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-one
CID 11118754
(5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
CID 71732446
(5S)-5-[(1R)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
CID 100999048
(5S)-5-[(1S)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
CID 100999051
(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-one
CID 101776187

Frequently Asked Questions

What is the IUPAC name of 5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]oxolan-2-one?
The IUPAC name of 5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]oxolan-2-one (CID 54542353) is 5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]oxolan-2-one.
What is the SMILES notation for 5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]oxolan-2-one?
The canonical SMILES for 5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]oxolan-2-one is CC(C)(C)[Si](C)(C)OC(C1CCC(=O)O1)C(F)(F)F.
What is the InChIKey of 5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]oxolan-2-one?
The InChIKey is ZECUIVYSVFRLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3O3Si/c1-11(2,3)19(4,5)18-10(12(13,14)15)8-6-7-9(16)17-8/h8,10H,6-7H2,1-5H3.
What are the key properties of 5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]oxolan-2-one?
5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]oxolan-2-one has a molecular weight of 298.38 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]oxolan-2-one is sourced from PubChem (CID 54542353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).