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

C22H32O9Si2 — CID 164815733

IUPAC[diacetyloxy-[2-[(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate
SMILESCC(=O)O[Si](CCOc1ccc2c(c1)CO[Si](C)(C1CCCCC1)O2)(OC(C)=O)OC(C)=O
InChIInChI=1S/C22H32O9Si2/c1-16(23)28-33(29-17(2)24,30-18(3)25)13-12-26-20-10-11-22-19(14-20)15-27-32(4,31-22)21-8-6-5-7-9-21/h10-11,14,21H,5-9,12-13,15H2,1-4H3
InChIKeyWGJQYWVGGMMMCV-UHFFFAOYSA-N
MW496.66 g/mol
LogP4.01
Rot. Bonds8

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

[diacetyloxy-[2-[(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate (PubChem CID 164815733) has the molecular formula C22H32O9Si2 and a molecular weight of 496.66 g/mol. Its IUPAC name is [diacetyloxy-[2-[(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy-[2-[(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate
PubChem CID164815733
Molecular FormulaC22H32O9Si2
Molecular Weight496.66 g/mol
Exact Mass496.16
IUPAC Name[diacetyloxy-[2-[(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate
SMILESCC(=O)O[Si](CCOc1ccc2c(c1)CO[Si](C)(C1CCCCC1)O2)(OC(C)=O)OC(C)=O
InChIInChI=1S/C22H32O9Si2/c1-16(23)28-33(29-17(2)24,30-18(3)25)13-12-26-20-10-11-22-19(14-20)15-27-32(4,31-22)21-8-6-5-7-9-21/h10-11,14,21H,5-9,12-13,15H2,1-4H3
InChIKeyWGJQYWVGGMMMCV-UHFFFAOYSA-N
XLogP4.01
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.66
LogP ≤ 54.01
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-phenyl-2-prop-2-enyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate
CID 164816429
trichloro-[3-(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)propyl]silane
CID 164816092
[diacetyloxy-[3-[(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silyl] acetate
CID 164816467
3-[2-methyl-6-(2-triethoxysilylethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propyl prop-2-enoate
CID 164816291
[diacetyloxy-[(2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silyl] acetate
CID 164816253
CID 165024401
CID 165024401
3-[(2,2-dicyclohexyl-4H-1,3-benzodioxin-6-yl)oxy]propyl-triethoxysilane
CID 164816332
trimethoxy-[[2-methyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4H-1,3,2-benzodioxasilin-6-yl]oxymethyl]silane
CID 164816264
trimethoxy-[(2-methyl-2-phenyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane
CID 164816186
triethoxy-[3-[(2-methyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silane
CID 164815717
3-[2-(1,3-benzodioxol-5-yloxy)ethylcarbamoylamino]-N-cyclohexylpropanamide
CID 55931080

Frequently Asked Questions

What is the IUPAC name of [diacetyloxy-[2-[(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate?
The IUPAC name of [diacetyloxy-[2-[(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate (CID 164815733) is [diacetyloxy-[2-[(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate.
What is the SMILES notation for [diacetyloxy-[2-[(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate?
The canonical SMILES for [diacetyloxy-[2-[(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate is CC(=O)O[Si](CCOc1ccc2c(c1)CO[Si](C)(C1CCCCC1)O2)(OC(C)=O)OC(C)=O.
What is the InChIKey of [diacetyloxy-[2-[(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate?
The InChIKey is WGJQYWVGGMMMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O9Si2/c1-16(23)28-33(29-17(2)24,30-18(3)25)13-12-26-20-10-11-22-19(14-20)15-27-32(4,31-22)21-8-6-5-7-9-21/h10-11,14,21H,5-9,12-13,15H2,1-4H3.
What are the key properties of [diacetyloxy-[2-[(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate?
[diacetyloxy-[2-[(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate has a molecular weight of 496.66 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy-[2-[(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate is sourced from PubChem (CID 164815733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).