[diacetyloxy(ethenyl)silyl] acetate;[diacetyloxy(ethyl)silyl] acetate;[diacetyloxy(methyl)silyl] acetate;[diacetyloxy(phenyl)silyl] acetate;[dibenzoyloxy(3,3,3-trifluoropropyl)silyl] benzoate;tris(pentane)

C74H107F3O30Si5 — CID 161183427

IUPAC[diacetyloxy(ethenyl)silyl] acetate;[diacetyloxy(ethyl)silyl] acetate;[diacetyloxy(methyl)silyl] acetate;[diacetyloxy(phenyl)silyl] acetate;[dibenzoyloxy(3,3,3-trifluoropropyl)silyl] benzoate;tris(pentane)
SMILESC=C[Si](OC(C)=O)(OC(C)=O)OC(C)=O.CC(=O)O[Si](C)(OC(C)=O)OC(C)=O.CC(=O)O[Si](OC(C)=O)(OC(C)=O)c1ccccc1.CCCCC.CCCCC.CCCCC.CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O.O=C(O[Si](CCC(F)(F)F)(OC(=O)c1ccccc1)OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19F3O6Si.C12H14O6Si.C8H14O6Si.C8H12O6Si.C7H12O6Si.3C5H12/c25-24(26,27)16-17-34(31-21(28)18-10-4-1-5-11-18,32-22(29)19-12-6-2-7-13-19)33-23(30)20-14-8-3-9-15-20;1-9(13)16-19(17-10(2)14,18-11(3)15)12-7-5-4-6-8-12;2*1-5-15(12-6(2)9,13-7(3)10)14-8(4)11;1-5(8)11-14(4,12-6(2)9)13-7(3)10;3*1-3-5-4-2/h1-15H,16-17H2;4-8H,1-3H3;5H2,1-4H3;5H,1H2,2-4H3;1-4H3;3*3-5H2,1-2H3
InChIKeyUSTUAVHFWJJIAR-UHFFFAOYSA-N
MW1674.06 g/mol
LogP13.78
Rot. Bonds29

About [diacetyloxy(ethenyl)silyl] acetate;[diacetyloxy(ethyl)silyl] acetate;[diacetyloxy(methyl)silyl] acetate;[diacetyloxy(phenyl)silyl] acetate;[dibenzoyloxy(3,3,3-trifluoropropyl)silyl] benzoate;tris(pentane)

[diacetyloxy(ethenyl)silyl] acetate;[diacetyloxy(ethyl)silyl] acetate;[diacetyloxy(methyl)silyl] acetate;[diacetyloxy(phenyl)silyl] acetate;[dibenzoyloxy(3,3,3-trifluoropropyl)silyl] benzoate;tris(pentane) (PubChem CID 161183427) has the molecular formula C74H107F3O30Si5 and a molecular weight of 1674.06 g/mol. Its IUPAC name is [diacetyloxy(ethenyl)silyl] acetate;[diacetyloxy(ethyl)silyl] acetate;[diacetyloxy(methyl)silyl] acetate;[diacetyloxy(phenyl)silyl] acetate;[dibenzoyloxy(3,3,3-trifluoropropyl)silyl] benzoate;tris(pentane).

Molecular Properties

Compound Name[diacetyloxy(ethenyl)silyl] acetate;[diacetyloxy(ethyl)silyl] acetate;[diacetyloxy(methyl)silyl] acetate;[diacetyloxy(phenyl)silyl] acetate;[dibenzoyloxy(3,3,3-trifluoropropyl)silyl] benzoate;tris(pentane)
PubChem CID161183427
Molecular FormulaC74H107F3O30Si5
Molecular Weight1674.06 g/mol
Exact Mass1672.56
IUPAC Name[diacetyloxy(ethenyl)silyl] acetate;[diacetyloxy(ethyl)silyl] acetate;[diacetyloxy(methyl)silyl] acetate;[diacetyloxy(phenyl)silyl] acetate;[dibenzoyloxy(3,3,3-trifluoropropyl)silyl] benzoate;tris(pentane)
SMILESC=C[Si](OC(C)=O)(OC(C)=O)OC(C)=O.CC(=O)O[Si](C)(OC(C)=O)OC(C)=O.CC(=O)O[Si](OC(C)=O)(OC(C)=O)c1ccccc1.CCCCC.CCCCC.CCCCC.CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O.O=C(O[Si](CCC(F)(F)F)(OC(=O)c1ccccc1)OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19F3O6Si.C12H14O6Si.C8H14O6Si.C8H12O6Si.C7H12O6Si.3C5H12/c25-24(26,27)16-17-34(31-21(28)18-10-4-1-5-11-18,32-22(29)19-12-6-2-7-13-19)33-23(30)20-14-8-3-9-15-20;1-9(13)16-19(17-10(2)14,18-11(3)15)12-7-5-4-6-8-12;2*1-5-15(12-6(2)9,13-7(3)10)14-8(4)11;1-5(8)11-14(4,12-6(2)9)13-7(3)10;3*1-3-5-4-2/h1-15H,16-17H2;4-8H,1-3H3;5H2,1-4H3;5H,1H2,2-4H3;1-4H3;3*3-5H2,1-2H3
InChIKeyUSTUAVHFWJJIAR-UHFFFAOYSA-N
XLogP13.78
TPSA394.50 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds29
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001674.06
LogP ≤ 513.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze [diacetyloxy(ethenyl)silyl] acetate;[diacetyloxy(ethyl)silyl] acetate;[diacetyloxy(methyl)silyl] acetate;[diacetyloxy(phenyl)silyl] acetate;[dibenzoyloxy(3,3,3-trifluoropropyl)silyl] benzoate;tris(pentane) with MolForge

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Related Compounds

Triphenylsilyl benzoate
CID 12568332
Stannane, bis(benzoyloxy)diphenyl-
CID 16683523
Triphenyltin 4-fluorobenzoate
CID 16712016
(2,2-Difluoro-1-triphenylsilylethenyl) benzoate
CID 11339705
Tetra-p-tolylantimony pentafluorobenzoate
CID 16711050
Tetra(p-tolyl)antimony 3,4,5-trifluorobenzoate
CID 16716727
Tris(4-fluorophenyl)antimony dibenzoate
CID 129770095
Tetra(p-tolyl)antimony 2,3-difluorobenzoate
CID 164890429
Tetra(p-tolyl)antimony 2,5-difluorobenzoate
CID 164890430
Tetra(p-tolyl)antimony 3,4-difluorobenzoate
CID 164890433
Tris(4-trifluoromethylphenyl)antimony dibenzoate
CID 168356110
Tribenzoyloxysilyl Benzoate
CID 4366890

Frequently Asked Questions

What is the IUPAC name of [diacetyloxy(ethenyl)silyl] acetate;[diacetyloxy(ethyl)silyl] acetate;[diacetyloxy(methyl)silyl] acetate;[diacetyloxy(phenyl)silyl] acetate;[dibenzoyloxy(3,3,3-trifluoropropyl)silyl] benzoate;tris(pentane)?
The IUPAC name of [diacetyloxy(ethenyl)silyl] acetate;[diacetyloxy(ethyl)silyl] acetate;[diacetyloxy(methyl)silyl] acetate;[diacetyloxy(phenyl)silyl] acetate;[dibenzoyloxy(3,3,3-trifluoropropyl)silyl] benzoate;tris(pentane) (CID 161183427) is [diacetyloxy(ethenyl)silyl] acetate;[diacetyloxy(ethyl)silyl] acetate;[diacetyloxy(methyl)silyl] acetate;[diacetyloxy(phenyl)silyl] acetate;[dibenzoyloxy(3,3,3-trifluoropropyl)silyl] benzoate;tris(pentane).
What is the SMILES notation for [diacetyloxy(ethenyl)silyl] acetate;[diacetyloxy(ethyl)silyl] acetate;[diacetyloxy(methyl)silyl] acetate;[diacetyloxy(phenyl)silyl] acetate;[dibenzoyloxy(3,3,3-trifluoropropyl)silyl] benzoate;tris(pentane)?
The canonical SMILES for [diacetyloxy(ethenyl)silyl] acetate;[diacetyloxy(ethyl)silyl] acetate;[diacetyloxy(methyl)silyl] acetate;[diacetyloxy(phenyl)silyl] acetate;[dibenzoyloxy(3,3,3-trifluoropropyl)silyl] benzoate;tris(pentane) is C=C[Si](OC(C)=O)(OC(C)=O)OC(C)=O.CC(=O)O[Si](C)(OC(C)=O)OC(C)=O.CC(=O)O[Si](OC(C)=O)(OC(C)=O)c1ccccc1.CCCCC.CCCCC.CCCCC.CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O.O=C(O[Si](CCC(F)(F)F)(OC(=O)c1ccccc1)OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [diacetyloxy(ethenyl)silyl] acetate;[diacetyloxy(ethyl)silyl] acetate;[diacetyloxy(methyl)silyl] acetate;[diacetyloxy(phenyl)silyl] acetate;[dibenzoyloxy(3,3,3-trifluoropropyl)silyl] benzoate;tris(pentane)?
The InChIKey is USTUAVHFWJJIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3O6Si.C12H14O6Si.C8H14O6Si.C8H12O6Si.C7H12O6Si.3C5H12/c25-24(26,27)16-17-34(31-21(28)18-10-4-1-5-11-18,32-22(29)19-12-6-2-7-13-19)33-23(30)20-14-8-3-9-15-20;1-9(13)16-19(17-10(2)14,18-11(3)15)12-7-5-4-6-8-12;2*1-5-15(12-6(2)9,13-7(3)10)14-8(4)11;1-5(8)11-14(4,12-6(2)9)13-7(3)10;3*1-3-5-4-2/h1-15H,16-17H2;4-8H,1-3H3;5H2,1-4H3;5H,1H2,2-4H3;1-4H3;3*3-5H2,1-2H3.
What are the key properties of [diacetyloxy(ethenyl)silyl] acetate;[diacetyloxy(ethyl)silyl] acetate;[diacetyloxy(methyl)silyl] acetate;[diacetyloxy(phenyl)silyl] acetate;[dibenzoyloxy(3,3,3-trifluoropropyl)silyl] benzoate;tris(pentane)?
[diacetyloxy(ethenyl)silyl] acetate;[diacetyloxy(ethyl)silyl] acetate;[diacetyloxy(methyl)silyl] acetate;[diacetyloxy(phenyl)silyl] acetate;[dibenzoyloxy(3,3,3-trifluoropropyl)silyl] benzoate;tris(pentane) has a molecular weight of 1674.06 g/mol, XLogP of 13.78, 29 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy(ethenyl)silyl] acetate;[diacetyloxy(ethyl)silyl] acetate;[diacetyloxy(methyl)silyl] acetate;[diacetyloxy(phenyl)silyl] acetate;[dibenzoyloxy(3,3,3-trifluoropropyl)silyl] benzoate;tris(pentane) is sourced from PubChem (CID 161183427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).