[(3S,4S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl] acetate

C15H30O3Si — CID 134856615

IUPAC[(3S,4S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl] acetate
SMILESCC(=O)OC1O[Si](C(C)(C)C)(C(C)(C)C)[C@@H](C)[C@H]1C
InChIInChI=1S/C15H30O3Si/c1-10-11(2)19(14(4,5)6,15(7,8)9)18-13(10)17-12(3)16/h10-11,13H,1-9H3/t10-,11+,13?/m1/s1
InChIKeyVJMCHCTZFDFTKS-ILWADHIDSA-N
MW286.49 g/mol
LogP4.48
Rot. Bonds1

About [(3S,4S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl] acetate

[(3S,4S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl] acetate (PubChem CID 134856615) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is [(3S,4S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl] acetate.

Molecular Properties

Compound Name[(3S,4S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl] acetate
PubChem CID134856615
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name[(3S,4S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl] acetate
SMILESCC(=O)OC1O[Si](C(C)(C)C)(C(C)(C)C)[C@@H](C)[C@H]1C
InChIInChI=1S/C15H30O3Si/c1-10-11(2)19(14(4,5)6,15(7,8)9)18-13(10)17-12(3)16/h10-11,13H,1-9H3/t10-,11+,13?/m1/s1
InChIKeyVJMCHCTZFDFTKS-ILWADHIDSA-N
XLogP4.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.48
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

1-[(3R,4R,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]propan-2-one
CID 102372351
[(3S,5S,6S)-2-acetyloxy-4,5,6-trimethyloxan-3-yl] acetate
CID 71182491
[(4R,5S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl] acetate
CID 154236104
[(2R,3S,4S,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
CID 70178929
[(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
CID 34174531
[(2S,5S)-2,3,5,6-tetraacetyloxyoxan-4-yl] acetate
CID 134940268
[(2S,4S,5S,6S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 44629963
[(3R,4S,6S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 71196175
(3R,4R)-2,2-ditert-butyl-3,4-dimethyloxasilinan-5-ol
CID 100969416
[(2S,3S,5R)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 70923261
[(3S,4S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 70841955
[(2R,3S,4R,5R,6R)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 70005151

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl] acetate?
The IUPAC name of [(3S,4S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl] acetate (CID 134856615) is [(3S,4S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl] acetate.
What is the SMILES notation for [(3S,4S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl] acetate?
The canonical SMILES for [(3S,4S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl] acetate is CC(=O)OC1O[Si](C(C)(C)C)(C(C)(C)C)[C@@H](C)[C@H]1C.
What is the InChIKey of [(3S,4S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl] acetate?
The InChIKey is VJMCHCTZFDFTKS-ILWADHIDSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-10-11(2)19(14(4,5)6,15(7,8)9)18-13(10)17-12(3)16/h10-11,13H,1-9H3/t10-,11+,13?/m1/s1.
What are the key properties of [(3S,4S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl] acetate?
[(3S,4S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl] acetate has a molecular weight of 286.49 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl] acetate is sourced from PubChem (CID 134856615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).