(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyloxolan-2-one

C13H26O3Si — CID 11097261

IUPAC(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyloxolan-2-one
SMILESCCC1C[C@@H](CO[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C13H26O3Si/c1-7-10-8-11(16-12(10)14)9-15-17(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3/t10?,11-/m0/s1
InChIKeyDEGWWQCPRGGRTR-DTIOYNMSSA-N
MW258.43 g/mol
LogP3.35
Rot. Bonds4

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

(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyloxolan-2-one (PubChem CID 11097261) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyloxolan-2-one
PubChem CID11097261
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyloxolan-2-one
SMILESCCC1C[C@@H](CO[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C13H26O3Si/c1-7-10-8-11(16-12(10)14)9-15-17(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3/t10?,11-/m0/s1
InChIKeyDEGWWQCPRGGRTR-DTIOYNMSSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.35
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
(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
(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
(4S,5S)-4-butyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 146021279
(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 10901006
(1R,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxabicyclo[3.2.0]heptan-2-one
CID 101390778
5-({[tert-butyl(dimethyl)silyl]oxy}methyl)dihydro-2(3H)-furanone
CID 14159547

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyloxolan-2-one?
The IUPAC name of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyloxolan-2-one (CID 11097261) is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyloxolan-2-one.
What is the SMILES notation for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyloxolan-2-one?
The canonical SMILES for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyloxolan-2-one is CCC1C[C@@H](CO[Si](C)(C)C(C)(C)C)OC1=O.
What is the InChIKey of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyloxolan-2-one?
The InChIKey is DEGWWQCPRGGRTR-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-7-10-8-11(16-12(10)14)9-15-17(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3/t10?,11-/m0/s1.
What are the key properties of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyloxolan-2-one?
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyloxolan-2-one has a molecular weight of 258.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyloxolan-2-one is sourced from PubChem (CID 11097261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).