[(2S)-1-[(2S,3R)-3-methyloxiran-2-yl]-3-tri(propan-2-yl)silyloxypropan-2-yl] acetate

C17H34O4Si — CID 10871250

IUPAC[(2S)-1-[(2S,3R)-3-methyloxiran-2-yl]-3-tri(propan-2-yl)silyloxypropan-2-yl] acetate
SMILESCC(=O)O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]1O[C@@H]1C
InChIInChI=1S/C17H34O4Si/c1-11(2)22(12(3)4,13(5)6)19-10-16(21-15(8)18)9-17-14(7)20-17/h11-14,16-17H,9-10H2,1-8H3/t14-,16+,17+/m1/s1
InChIKeyCBEJXCFPPAWJRI-PVAVHDDUSA-N
MW330.54 g/mol
LogP4.29
Rot. Bonds9

About [(2S)-1-[(2S,3R)-3-methyloxiran-2-yl]-3-tri(propan-2-yl)silyloxypropan-2-yl] acetate

[(2S)-1-[(2S,3R)-3-methyloxiran-2-yl]-3-tri(propan-2-yl)silyloxypropan-2-yl] acetate (PubChem CID 10871250) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is [(2S)-1-[(2S,3R)-3-methyloxiran-2-yl]-3-tri(propan-2-yl)silyloxypropan-2-yl] acetate.

Molecular Properties

Compound Name[(2S)-1-[(2S,3R)-3-methyloxiran-2-yl]-3-tri(propan-2-yl)silyloxypropan-2-yl] acetate
PubChem CID10871250
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name[(2S)-1-[(2S,3R)-3-methyloxiran-2-yl]-3-tri(propan-2-yl)silyloxypropan-2-yl] acetate
SMILESCC(=O)O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]1O[C@@H]1C
InChIInChI=1S/C17H34O4Si/c1-11(2)22(12(3)4,13(5)6)19-10-16(21-15(8)18)9-17-14(7)20-17/h11-14,16-17H,9-10H2,1-8H3/t14-,16+,17+/m1/s1
InChIKeyCBEJXCFPPAWJRI-PVAVHDDUSA-N
XLogP4.29
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2S,3R)-3-methyloxiran-2-yl]-3-tri(propan-2-yl)silyloxypropan-2-yl] acetate?
The IUPAC name of [(2S)-1-[(2S,3R)-3-methyloxiran-2-yl]-3-tri(propan-2-yl)silyloxypropan-2-yl] acetate (CID 10871250) is [(2S)-1-[(2S,3R)-3-methyloxiran-2-yl]-3-tri(propan-2-yl)silyloxypropan-2-yl] acetate.
What is the SMILES notation for [(2S)-1-[(2S,3R)-3-methyloxiran-2-yl]-3-tri(propan-2-yl)silyloxypropan-2-yl] acetate?
The canonical SMILES for [(2S)-1-[(2S,3R)-3-methyloxiran-2-yl]-3-tri(propan-2-yl)silyloxypropan-2-yl] acetate is CC(=O)O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]1O[C@@H]1C.
What is the InChIKey of [(2S)-1-[(2S,3R)-3-methyloxiran-2-yl]-3-tri(propan-2-yl)silyloxypropan-2-yl] acetate?
The InChIKey is CBEJXCFPPAWJRI-PVAVHDDUSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-11(2)22(12(3)4,13(5)6)19-10-16(21-15(8)18)9-17-14(7)20-17/h11-14,16-17H,9-10H2,1-8H3/t14-,16+,17+/m1/s1.
What are the key properties of [(2S)-1-[(2S,3R)-3-methyloxiran-2-yl]-3-tri(propan-2-yl)silyloxypropan-2-yl] acetate?
[(2S)-1-[(2S,3R)-3-methyloxiran-2-yl]-3-tri(propan-2-yl)silyloxypropan-2-yl] acetate has a molecular weight of 330.54 g/mol, XLogP of 4.29, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2S,3R)-3-methyloxiran-2-yl]-3-tri(propan-2-yl)silyloxypropan-2-yl] acetate is sourced from PubChem (CID 10871250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).