[diacetyloxy-[2-[(2-phenyl-2-prop-2-enyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate

C24H28O9Si2 — CID 164816429

IUPAC[diacetyloxy-[2-[(2-phenyl-2-prop-2-enyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate
SMILESC=CC[Si]1(c2ccccc2)OCc2cc(OCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O)ccc2O1
InChIInChI=1S/C24H28O9Si2/c1-5-14-34(23-9-7-6-8-10-23)29-17-21-16-22(11-12-24(21)33-34)28-13-15-35(30-18(2)25,31-19(3)26)32-20(4)27/h5-12,16H,1,13-15,17H2,2-4H3
InChIKeyRCOQEBQJZYMIDP-UHFFFAOYSA-N
MW516.65 g/mol
LogP3.14
Rot. Bonds10

About [diacetyloxy-[2-[(2-phenyl-2-prop-2-enyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate

[diacetyloxy-[2-[(2-phenyl-2-prop-2-enyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate (PubChem CID 164816429) has the molecular formula C24H28O9Si2 and a molecular weight of 516.65 g/mol. Its IUPAC name is [diacetyloxy-[2-[(2-phenyl-2-prop-2-enyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy-[2-[(2-phenyl-2-prop-2-enyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate
PubChem CID164816429
Molecular FormulaC24H28O9Si2
Molecular Weight516.65 g/mol
Exact Mass516.13
IUPAC Name[diacetyloxy-[2-[(2-phenyl-2-prop-2-enyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate
SMILESC=CC[Si]1(c2ccccc2)OCc2cc(OCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O)ccc2O1
InChIInChI=1S/C24H28O9Si2/c1-5-14-34(23-9-7-6-8-10-23)29-17-21-16-22(11-12-24(21)33-34)28-13-15-35(30-18(2)25,31-19(3)26)32-20(4)27/h5-12,16H,1,13-15,17H2,2-4H3
InChIKeyRCOQEBQJZYMIDP-UHFFFAOYSA-N
XLogP3.14
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.65
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [diacetyloxy-[2-[(2-phenyl-2-prop-2-enyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [diacetyloxy-[2-[(2-phenyl-2-prop-2-enyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate?
The IUPAC name of [diacetyloxy-[2-[(2-phenyl-2-prop-2-enyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate (CID 164816429) is [diacetyloxy-[2-[(2-phenyl-2-prop-2-enyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate.
What is the SMILES notation for [diacetyloxy-[2-[(2-phenyl-2-prop-2-enyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate?
The canonical SMILES for [diacetyloxy-[2-[(2-phenyl-2-prop-2-enyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate is C=CC[Si]1(c2ccccc2)OCc2cc(OCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O)ccc2O1.
What is the InChIKey of [diacetyloxy-[2-[(2-phenyl-2-prop-2-enyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate?
The InChIKey is RCOQEBQJZYMIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O9Si2/c1-5-14-34(23-9-7-6-8-10-23)29-17-21-16-22(11-12-24(21)33-34)28-13-15-35(30-18(2)25,31-19(3)26)32-20(4)27/h5-12,16H,1,13-15,17H2,2-4H3.
What are the key properties of [diacetyloxy-[2-[(2-phenyl-2-prop-2-enyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate?
[diacetyloxy-[2-[(2-phenyl-2-prop-2-enyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate has a molecular weight of 516.65 g/mol, XLogP of 3.14, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy-[2-[(2-phenyl-2-prop-2-enyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate is sourced from PubChem (CID 164816429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).