(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one

C12H21F3O3Si — CID 10709198

IUPAC(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](C(F)(F)F)C(=O)O1
InChIInChI=1S/C12H21F3O3Si/c1-11(2,3)19(4,5)17-7-8-6-9(10(16)18-8)12(13,14)15/h8-9H,6-7H2,1-5H3/t8-,9-/m0/s1
InChIKeyABZGSYOGSAEDSI-IUCAKERBSA-N
MW298.38 g/mol
LogP3.50
Rot. Bonds3

About (3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one

(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one (PubChem CID 10709198) has the molecular formula C12H21F3O3Si and a molecular weight of 298.38 g/mol. Its IUPAC name is (3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one
PubChem CID10709198
Molecular FormulaC12H21F3O3Si
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC Name(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](C(F)(F)F)C(=O)O1
InChIInChI=1S/C12H21F3O3Si/c1-11(2,3)19(4,5)17-7-8-6-9(10(16)18-8)12(13,14)15/h8-9H,6-7H2,1-5H3/t8-,9-/m0/s1
InChIKeyABZGSYOGSAEDSI-IUCAKERBSA-N
XLogP3.50
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 ≤ 53.50
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

(5S)-5-{[(tert-butyldimethylsilyl)oxy]methyl}oxolan-2-one
CID 10014094
2,3-Dideoxy-3-C-methyl-5-O-tert-butyldimethylsilyl-D-erythro-pentono-1,4-lactone
CID 102292925
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-2-one
CID 10400493
(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one
CID 10732826
5-[1-[Tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]oxolan-2-one
CID 54542353
(3S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 10729014
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-one
CID 146018118
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4-trimethyloxolan-2-one
CID 146018119
(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 10901006
5-({[tert-butyl(dimethyl)silyl]oxy}methyl)dihydro-2(3H)-furanone
CID 14159547
(R)-4-([(tert-butyldimethylsilyl)oxy]methyl)-4-butyrolactone
CID 22849469
(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-one
CID 139776964

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one?
The IUPAC name of (3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one (CID 10709198) is (3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one.
What is the SMILES notation for (3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one?
The canonical SMILES for (3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one is CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](C(F)(F)F)C(=O)O1.
What is the InChIKey of (3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one?
The InChIKey is ABZGSYOGSAEDSI-IUCAKERBSA-N. The full InChI is InChI=1S/C12H21F3O3Si/c1-11(2,3)19(4,5)17-7-8-6-9(10(16)18-8)12(13,14)15/h8-9H,6-7H2,1-5H3/t8-,9-/m0/s1.
What are the key properties of (3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one?
(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one has a molecular weight of 298.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one is sourced from PubChem (CID 10709198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).