[diacetyloxy-[2-(2,2-diphenyl-4H-1,3,2-benzodioxasilin-6-yl)ethyl]silyl] acetate

C27H28O8Si2 — CID 164816174

IUPAC[diacetyloxy-[2-(2,2-diphenyl-4H-1,3,2-benzodioxasilin-6-yl)ethyl]silyl] acetate
SMILESCC(=O)O[Si](CCc1ccc2c(c1)CO[Si](c1ccccc1)(c1ccccc1)O2)(OC(C)=O)OC(C)=O
InChIInChI=1S/C27H28O8Si2/c1-20(28)32-36(33-21(2)29,34-22(3)30)17-16-23-14-15-27-24(18-23)19-31-37(35-27,25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-15,18H,16-17,19H2,1-3H3
InChIKeyKRTKEEGGJKGWJM-UHFFFAOYSA-N
MW536.69 g/mol
LogP3.02
Rot. Bonds8

About [diacetyloxy-[2-(2,2-diphenyl-4H-1,3,2-benzodioxasilin-6-yl)ethyl]silyl] acetate

[diacetyloxy-[2-(2,2-diphenyl-4H-1,3,2-benzodioxasilin-6-yl)ethyl]silyl] acetate (PubChem CID 164816174) has the molecular formula C27H28O8Si2 and a molecular weight of 536.69 g/mol. Its IUPAC name is [diacetyloxy-[2-(2,2-diphenyl-4H-1,3,2-benzodioxasilin-6-yl)ethyl]silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy-[2-(2,2-diphenyl-4H-1,3,2-benzodioxasilin-6-yl)ethyl]silyl] acetate
PubChem CID164816174
Molecular FormulaC27H28O8Si2
Molecular Weight536.69 g/mol
Exact Mass536.13
IUPAC Name[diacetyloxy-[2-(2,2-diphenyl-4H-1,3,2-benzodioxasilin-6-yl)ethyl]silyl] acetate
SMILESCC(=O)O[Si](CCc1ccc2c(c1)CO[Si](c1ccccc1)(c1ccccc1)O2)(OC(C)=O)OC(C)=O
InChIInChI=1S/C27H28O8Si2/c1-20(28)32-36(33-21(2)29,34-22(3)30)17-16-23-14-15-27-24(18-23)19-31-37(35-27,25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-15,18H,16-17,19H2,1-3H3
InChIKeyKRTKEEGGJKGWJM-UHFFFAOYSA-N
XLogP3.02
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.69
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 [diacetyloxy-[2-(2,2-diphenyl-4H-1,3,2-benzodioxasilin-6-yl)ethyl]silyl] acetate?
The IUPAC name of [diacetyloxy-[2-(2,2-diphenyl-4H-1,3,2-benzodioxasilin-6-yl)ethyl]silyl] acetate (CID 164816174) is [diacetyloxy-[2-(2,2-diphenyl-4H-1,3,2-benzodioxasilin-6-yl)ethyl]silyl] acetate.
What is the SMILES notation for [diacetyloxy-[2-(2,2-diphenyl-4H-1,3,2-benzodioxasilin-6-yl)ethyl]silyl] acetate?
The canonical SMILES for [diacetyloxy-[2-(2,2-diphenyl-4H-1,3,2-benzodioxasilin-6-yl)ethyl]silyl] acetate is CC(=O)O[Si](CCc1ccc2c(c1)CO[Si](c1ccccc1)(c1ccccc1)O2)(OC(C)=O)OC(C)=O.
What is the InChIKey of [diacetyloxy-[2-(2,2-diphenyl-4H-1,3,2-benzodioxasilin-6-yl)ethyl]silyl] acetate?
The InChIKey is KRTKEEGGJKGWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O8Si2/c1-20(28)32-36(33-21(2)29,34-22(3)30)17-16-23-14-15-27-24(18-23)19-31-37(35-27,25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-15,18H,16-17,19H2,1-3H3.
What are the key properties of [diacetyloxy-[2-(2,2-diphenyl-4H-1,3,2-benzodioxasilin-6-yl)ethyl]silyl] acetate?
[diacetyloxy-[2-(2,2-diphenyl-4H-1,3,2-benzodioxasilin-6-yl)ethyl]silyl] acetate has a molecular weight of 536.69 g/mol, XLogP of 3.02, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy-[2-(2,2-diphenyl-4H-1,3,2-benzodioxasilin-6-yl)ethyl]silyl] acetate is sourced from PubChem (CID 164816174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).