[acetyloxy-[3-(oxetan-3-yl)propyl]-phenylsilyl] acetate

C16H22O5Si — CID 141216007

IUPAC[acetyloxy-[3-(oxetan-3-yl)propyl]-phenylsilyl] acetate
SMILESCC(=O)O[Si](CCCC1COC1)(OC(C)=O)c1ccccc1
InChIInChI=1S/C16H22O5Si/c1-13(17)20-22(21-14(2)18,16-8-4-3-5-9-16)10-6-7-15-11-19-12-15/h3-5,8-9,15H,6-7,10-12H2,1-2H3
InChIKeyOUPZELMXEBACAT-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.89
Rot. Bonds7

About [acetyloxy-[3-(oxetan-3-yl)propyl]-phenylsilyl] acetate

[acetyloxy-[3-(oxetan-3-yl)propyl]-phenylsilyl] acetate (PubChem CID 141216007) has the molecular formula C16H22O5Si and a molecular weight of 322.43 g/mol. Its IUPAC name is [acetyloxy-[3-(oxetan-3-yl)propyl]-phenylsilyl] acetate.

Molecular Properties

Compound Name[acetyloxy-[3-(oxetan-3-yl)propyl]-phenylsilyl] acetate
PubChem CID141216007
Molecular FormulaC16H22O5Si
Molecular Weight322.43 g/mol
Exact Mass322.12
IUPAC Name[acetyloxy-[3-(oxetan-3-yl)propyl]-phenylsilyl] acetate
SMILESCC(=O)O[Si](CCCC1COC1)(OC(C)=O)c1ccccc1
InChIInChI=1S/C16H22O5Si/c1-13(17)20-22(21-14(2)18,16-8-4-3-5-9-16)10-6-7-15-11-19-12-15/h3-5,8-9,15H,6-7,10-12H2,1-2H3
InChIKeyOUPZELMXEBACAT-UHFFFAOYSA-N
XLogP1.89
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [acetyloxy-[3-(oxetan-3-yl)propyl]-phenylsilyl] acetate?
The IUPAC name of [acetyloxy-[3-(oxetan-3-yl)propyl]-phenylsilyl] acetate (CID 141216007) is [acetyloxy-[3-(oxetan-3-yl)propyl]-phenylsilyl] acetate.
What is the SMILES notation for [acetyloxy-[3-(oxetan-3-yl)propyl]-phenylsilyl] acetate?
The canonical SMILES for [acetyloxy-[3-(oxetan-3-yl)propyl]-phenylsilyl] acetate is CC(=O)O[Si](CCCC1COC1)(OC(C)=O)c1ccccc1.
What is the InChIKey of [acetyloxy-[3-(oxetan-3-yl)propyl]-phenylsilyl] acetate?
The InChIKey is OUPZELMXEBACAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5Si/c1-13(17)20-22(21-14(2)18,16-8-4-3-5-9-16)10-6-7-15-11-19-12-15/h3-5,8-9,15H,6-7,10-12H2,1-2H3.
What are the key properties of [acetyloxy-[3-(oxetan-3-yl)propyl]-phenylsilyl] acetate?
[acetyloxy-[3-(oxetan-3-yl)propyl]-phenylsilyl] acetate has a molecular weight of 322.43 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-[3-(oxetan-3-yl)propyl]-phenylsilyl] acetate is sourced from PubChem (CID 141216007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).