(2S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxolan-4-one

C13H26O4Si — CID 11277351

IUPAC(2S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxolan-4-one
SMILESCC[C@@H]1OC(=O)[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H26O4Si/c1-7-11-16-10(12(14)17-11)8-9-15-18(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3/t10-,11-/m0/s1
InChIKeyHGSPCEIQKVNJTF-QWRGUYRKSA-N
MW274.43 g/mol
LogP3.08
Rot. Bonds5

About (2S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxolan-4-one

(2S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxolan-4-one (PubChem CID 11277351) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is (2S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(2S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxolan-4-one
PubChem CID11277351
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name(2S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxolan-4-one
SMILESCC[C@@H]1OC(=O)[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H26O4Si/c1-7-11-16-10(12(14)17-11)8-9-15-18(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3/t10-,11-/m0/s1
InChIKeyHGSPCEIQKVNJTF-QWRGUYRKSA-N
XLogP3.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 14414632
Methyl 3,4-O-isopropylidene-L-threonate, TMS derivative
CID 91701873
[(4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl] acetate
CID 101748375
methyl (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 10335211
Methyl 3,4-O-isopropylidene-L-threonate, TBDMS derivative
CID 91701870
5-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one
CID 23241041
(+)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic Acid, Tert-butyldimethylsilyl Ester
CID 23519143
(S)-5-[2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-2,2-dimethyl-[1,3]dioxolan-4-one
CID 67299740
(S)-(+)-2,2-dimethyl-5-oxo-1,3-dioxolane-4-acetic acid, t-butyldimethylsilyl ester
CID 86587277
(2S,5S)-2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one
CID 123213650
2-Tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one
CID 123267933
propan-2-yl (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-tri(propan-2-yl)silyloxyacetate
CID 140314697

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxolan-4-one?
The IUPAC name of (2S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxolan-4-one (CID 11277351) is (2S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxolan-4-one.
What is the SMILES notation for (2S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxolan-4-one?
The canonical SMILES for (2S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxolan-4-one is CC[C@@H]1OC(=O)[C@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxolan-4-one?
The InChIKey is HGSPCEIQKVNJTF-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-7-11-16-10(12(14)17-11)8-9-15-18(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3/t10-,11-/m0/s1.
What are the key properties of (2S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxolan-4-one?
(2S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxolan-4-one has a molecular weight of 274.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxolan-4-one is sourced from PubChem (CID 11277351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).