[acetyloxy-ethyl-[3-(oxiran-2-ylmethoxy)phenyl]silyl] acetate

C15H20O6Si — CID 150920717

IUPAC[acetyloxy-ethyl-[3-(oxiran-2-ylmethoxy)phenyl]silyl] acetate
SMILESCC[Si](OC(C)=O)(OC(C)=O)c1cccc(OCC2CO2)c1
InChIInChI=1S/C15H20O6Si/c1-4-22(20-11(2)16,21-12(3)17)15-7-5-6-13(8-15)18-9-14-10-19-14/h5-8,14H,4,9-10H2,1-3H3
InChIKeyLDYWTKRWGPFHSF-UHFFFAOYSA-N
MW324.41 g/mol
LogP1.26
Rot. Bonds7

About [acetyloxy-ethyl-[3-(oxiran-2-ylmethoxy)phenyl]silyl] acetate

[acetyloxy-ethyl-[3-(oxiran-2-ylmethoxy)phenyl]silyl] acetate (PubChem CID 150920717) has the molecular formula C15H20O6Si and a molecular weight of 324.41 g/mol. Its IUPAC name is [acetyloxy-ethyl-[3-(oxiran-2-ylmethoxy)phenyl]silyl] acetate.

Molecular Properties

Compound Name[acetyloxy-ethyl-[3-(oxiran-2-ylmethoxy)phenyl]silyl] acetate
PubChem CID150920717
Molecular FormulaC15H20O6Si
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name[acetyloxy-ethyl-[3-(oxiran-2-ylmethoxy)phenyl]silyl] acetate
SMILESCC[Si](OC(C)=O)(OC(C)=O)c1cccc(OCC2CO2)c1
InChIInChI=1S/C15H20O6Si/c1-4-22(20-11(2)16,21-12(3)17)15-7-5-6-13(8-15)18-9-14-10-19-14/h5-8,14H,4,9-10H2,1-3H3
InChIKeyLDYWTKRWGPFHSF-UHFFFAOYSA-N
XLogP1.26
TPSA74.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane
CID 155004813
[4-(oxiran-2-ylmethoxy)phenyl] acetate
CID 57173964
2-[(3-tert-butylphenoxy)methyl]oxirane
CID 22640892
2-[[3-[3-[3-(2-methoxyethoxy)phenoxy]phenoxy]phenoxy]methyl]oxirane
CID 166849905
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
1-[3-(oxiran-2-ylmethoxy)phenyl]pyrrolidine
CID 146098529
5-(oxiran-2-ylmethoxy)-2-[3-(oxiran-2-ylmethoxy)phenyl]isoindole-1,3-dione
CID 139773379
1,1'-biphenyl;2-(phenoxymethyl)oxirane;propane
CID 90797707
2-[[3-[1,3,3-tris[3-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane
CID 59217386
N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
CID 737230
[3-methyl-2-(oxiran-2-ylmethoxy)phenyl] acetate
CID 131876567

Frequently Asked Questions

What is the IUPAC name of [acetyloxy-ethyl-[3-(oxiran-2-ylmethoxy)phenyl]silyl] acetate?
The IUPAC name of [acetyloxy-ethyl-[3-(oxiran-2-ylmethoxy)phenyl]silyl] acetate (CID 150920717) is [acetyloxy-ethyl-[3-(oxiran-2-ylmethoxy)phenyl]silyl] acetate.
What is the SMILES notation for [acetyloxy-ethyl-[3-(oxiran-2-ylmethoxy)phenyl]silyl] acetate?
The canonical SMILES for [acetyloxy-ethyl-[3-(oxiran-2-ylmethoxy)phenyl]silyl] acetate is CC[Si](OC(C)=O)(OC(C)=O)c1cccc(OCC2CO2)c1.
What is the InChIKey of [acetyloxy-ethyl-[3-(oxiran-2-ylmethoxy)phenyl]silyl] acetate?
The InChIKey is LDYWTKRWGPFHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6Si/c1-4-22(20-11(2)16,21-12(3)17)15-7-5-6-13(8-15)18-9-14-10-19-14/h5-8,14H,4,9-10H2,1-3H3.
What are the key properties of [acetyloxy-ethyl-[3-(oxiran-2-ylmethoxy)phenyl]silyl] acetate?
[acetyloxy-ethyl-[3-(oxiran-2-ylmethoxy)phenyl]silyl] acetate has a molecular weight of 324.41 g/mol, XLogP of 1.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-ethyl-[3-(oxiran-2-ylmethoxy)phenyl]silyl] acetate is sourced from PubChem (CID 150920717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).