1-[(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]ethanone

C12H24O3Si — CID 168819978

IUPAC1-[(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]ethanone
SMILESCC(=O)[C@H]1OCCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9(13)11-10(7-8-14-11)15-16(5,6)12(2,3)4/h10-11H,7-8H2,1-6H3/t10?,11-/m1/s1
InChIKeyACPRKKZJCBCTHD-RRKGBCIJSA-N
MW244.41 g/mol
LogP2.75
Rot. Bonds3

About 1-[(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]ethanone

1-[(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]ethanone (PubChem CID 168819978) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 1-[(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]ethanone
PubChem CID168819978
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name1-[(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]ethanone
SMILESCC(=O)[C@H]1OCCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9(13)11-10(7-8-14-11)15-16(5,6)12(2,3)4/h10-11H,7-8H2,1-6H3/t10?,11-/m1/s1
InChIKeyACPRKKZJCBCTHD-RRKGBCIJSA-N
XLogP2.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]ethanone?
The IUPAC name of 1-[(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]ethanone (CID 168819978) is 1-[(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]ethanone.
What is the SMILES notation for 1-[(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]ethanone?
The canonical SMILES for 1-[(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]ethanone is CC(=O)[C@H]1OCCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]ethanone?
The InChIKey is ACPRKKZJCBCTHD-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-9(13)11-10(7-8-14-11)15-16(5,6)12(2,3)4/h10-11H,7-8H2,1-6H3/t10?,11-/m1/s1.
What are the key properties of 1-[(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]ethanone?
1-[(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]ethanone has a molecular weight of 244.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]ethanone is sourced from PubChem (CID 168819978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).