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

C15H20O9Si2 — CID 164816253

IUPAC[diacetyloxy-[(2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silyl] acetate
SMILESCC(=O)O[Si](COc1ccc2c(c1)CO[SiH](C)O2)(OC(C)=O)OC(C)=O
InChIInChI=1S/C15H20O9Si2/c1-10(16)22-26(23-11(2)17,24-12(3)18)9-19-14-5-6-15-13(7-14)8-20-25(4)21-15/h5-7,25H,8-9H2,1-4H3
InChIKeyUBPKMZHYEMQPQV-UHFFFAOYSA-N
MW400.49 g/mol
LogP0.99
Rot. Bonds6

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

[diacetyloxy-[(2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silyl] acetate (PubChem CID 164816253) has the molecular formula C15H20O9Si2 and a molecular weight of 400.49 g/mol. Its IUPAC name is [diacetyloxy-[(2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy-[(2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silyl] acetate
PubChem CID164816253
Molecular FormulaC15H20O9Si2
Molecular Weight400.49 g/mol
Exact Mass400.06
IUPAC Name[diacetyloxy-[(2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silyl] acetate
SMILESCC(=O)O[Si](COc1ccc2c(c1)CO[SiH](C)O2)(OC(C)=O)OC(C)=O
InChIInChI=1S/C15H20O9Si2/c1-10(16)22-26(23-11(2)17,24-12(3)18)9-19-14-5-6-15-13(7-14)8-20-25(4)21-15/h5-7,25H,8-9H2,1-4H3
InChIKeyUBPKMZHYEMQPQV-UHFFFAOYSA-N
XLogP0.99
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[diacetyloxy-[2-[[2-(chloromethyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]oxy]ethyl]silyl] acetate
CID 164815704
[diacetyloxy-[2-[(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate
CID 164815733
[diacetyloxy-[3-[(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silyl] acetate
CID 164816467
4H-1,3,2-benzodioxasilin-6-yloxymethyl(trimethoxy)silane
CID 164816006
[diacetyloxy-[(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silyl] acetate;[diacetyloxy-[(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silyl] acetate;[diacetyloxy-[(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silyl] acetate;[diacetyloxy-[(2-methyl-2-propyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silyl] acetate;(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)oxymethyl-triethoxysilane;(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)oxymethyl-trimethoxysilane;trichloro-[(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;trichloro-[(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;trichloro-[(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;trichloro-[(2-methyl-2-propyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;triethoxy-[(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;triethoxy-[(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;triethoxy-[(2-methyl-2-propyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;bis(trimethoxy-[(2-methyl-2-propyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane)
CID 165056852
trimethoxy-[(2-methyl-2-phenyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane
CID 164816186
[diacetyloxy-[[2-(3-aminopropyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]oxymethyl]silyl] acetate;[diacetyloxy-[[2-[3-(dimethylamino)propyl]-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]oxymethyl]silyl] acetate;[diacetyloxy-[(2-methyl-2-propyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silyl] acetate;[diacetyloxy-[[2-methyl-2-(3-sulfanylpropyl)-4H-1,3,2-benzodioxasilin-6-yl]oxymethyl]silyl] acetate;N,N-dimethyl-3-[2-methyl-6-(trichlorosilylmethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine;N,N-dimethyl-3-[2-methyl-6-(triethoxysilylmethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine;N,N-dimethyl-3-[2-methyl-6-(trimethoxysilylmethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine;3-[2-methyl-6-(trichlorosilylmethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine;3-[2-methyl-6-(trichlorosilylmethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propane-1-thiol;bis(3-[2-methyl-6-(triethoxysilylmethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine);bis(3-[2-methyl-6-(trimethoxysilylmethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine);trichloro-[(2-methyl-2-propyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane;triethoxy-[(2-methyl-2-propyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane;trimethoxy-[(2-methyl-2-propyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane
CID 165076222
[diacetyloxy-[2-[(2-phenyl-2-prop-2-enyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate
CID 164816429
triethoxy-[(2-methyl-2-pentan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane
CID 164816029
5-butoxy-3H-1,2-benzodioxole
CID 88819864
1-(6-ethoxy-2H-chromen-3-yl)ethanone
CID 165453464
[diacetyloxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silyl] acetate
CID 164815890

Frequently Asked Questions

What is the IUPAC name of [diacetyloxy-[(2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silyl] acetate?
The IUPAC name of [diacetyloxy-[(2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silyl] acetate (CID 164816253) is [diacetyloxy-[(2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silyl] acetate.
What is the SMILES notation for [diacetyloxy-[(2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silyl] acetate?
The canonical SMILES for [diacetyloxy-[(2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silyl] acetate is CC(=O)O[Si](COc1ccc2c(c1)CO[SiH](C)O2)(OC(C)=O)OC(C)=O.
What is the InChIKey of [diacetyloxy-[(2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silyl] acetate?
The InChIKey is UBPKMZHYEMQPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O9Si2/c1-10(16)22-26(23-11(2)17,24-12(3)18)9-19-14-5-6-15-13(7-14)8-20-25(4)21-15/h5-7,25H,8-9H2,1-4H3.
What are the key properties of [diacetyloxy-[(2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silyl] acetate?
[diacetyloxy-[(2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silyl] acetate has a molecular weight of 400.49 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy-[(2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silyl] acetate is sourced from PubChem (CID 164816253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).