3-[dimethyl-tris[[3-acetyloxypropyl(dimethyl)silyl]oxy]silyloxysilyloxysilyl]propyl acetate

C28H62O13Si6 — CID 154103827

IUPAC3-[dimethyl-tris[[3-acetyloxypropyl(dimethyl)silyl]oxy]silyloxysilyloxysilyl]propyl acetate
SMILESCC(=O)OCCC[Si](C)(C)O[SiH2]O[Si](O[Si](C)(C)CCCOC(C)=O)(O[Si](C)(C)CCCOC(C)=O)O[Si](C)(C)CCCOC(C)=O
InChIInChI=1S/C28H62O13Si6/c1-25(29)33-17-13-21-43(5,6)37-42-38-47(39-44(7,8)22-14-18-34-26(2)30,40-45(9,10)23-15-19-35-27(3)31)41-46(11,12)24-16-20-36-28(4)32/h13-24,42H2,1-12H3
InChIKeyCBFLYJHGPLUOHA-UHFFFAOYSA-N
MW775.31 g/mol
LogP5.14
Rot. Bonds26

About 3-[dimethyl-tris[[3-acetyloxypropyl(dimethyl)silyl]oxy]silyloxysilyloxysilyl]propyl acetate

3-[dimethyl-tris[[3-acetyloxypropyl(dimethyl)silyl]oxy]silyloxysilyloxysilyl]propyl acetate (PubChem CID 154103827) has the molecular formula C28H62O13Si6 and a molecular weight of 775.31 g/mol. Its IUPAC name is 3-[dimethyl-tris[[3-acetyloxypropyl(dimethyl)silyl]oxy]silyloxysilyloxysilyl]propyl acetate.

Molecular Properties

Compound Name3-[dimethyl-tris[[3-acetyloxypropyl(dimethyl)silyl]oxy]silyloxysilyloxysilyl]propyl acetate
PubChem CID154103827
Molecular FormulaC28H62O13Si6
Molecular Weight775.31 g/mol
Exact Mass774.28
IUPAC Name3-[dimethyl-tris[[3-acetyloxypropyl(dimethyl)silyl]oxy]silyloxysilyloxysilyl]propyl acetate
SMILESCC(=O)OCCC[Si](C)(C)O[SiH2]O[Si](O[Si](C)(C)CCCOC(C)=O)(O[Si](C)(C)CCCOC(C)=O)O[Si](C)(C)CCCOC(C)=O
InChIInChI=1S/C28H62O13Si6/c1-25(29)33-17-13-21-43(5,6)37-42-38-47(39-44(7,8)22-14-18-34-26(2)30,40-45(9,10)23-15-19-35-27(3)31)41-46(11,12)24-16-20-36-28(4)32/h13-24,42H2,1-12H3
InChIKeyCBFLYJHGPLUOHA-UHFFFAOYSA-N
XLogP5.14
TPSA151.35 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds26
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500775.31
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[acetyloxy(dimethyl)silyl]propyl acetate
CID 18787770
3-[hydroxy(dimethyl)silyl]propyl acetate
CID 71325011
3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate
CID 173363801
3-[diethyl(methyl)silyl]propyl acetate
CID 101001894
3-[dimethyl(trimethoxysilyloxy)silyl]propyl prop-2-enoate
CID 22726207
bis[3-[dimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilyl]propyl] but-2-enedioate
CID 173321361
11-acetyloxyundecyl acetate
CID 87784419
3-[[3-aminopropyl(dimethyl)silyl]oxysilyloxy-dimethylsilyl]propan-1-amine;methane
CID 162253178
3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxysilylpropyl 2-methylprop-2-enoate
CID 123158447
3-[[3-methoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 59651344
3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 22094222
2-[[bis[[2-acetyloxyethyl(dimethyl)silyl]oxy]-[3-(2-methylprop-2-enoxy)propyl]silyl]oxy-dimethylsilyl]ethyl acetate
CID 88718474

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl-tris[[3-acetyloxypropyl(dimethyl)silyl]oxy]silyloxysilyloxysilyl]propyl acetate?
The IUPAC name of 3-[dimethyl-tris[[3-acetyloxypropyl(dimethyl)silyl]oxy]silyloxysilyloxysilyl]propyl acetate (CID 154103827) is 3-[dimethyl-tris[[3-acetyloxypropyl(dimethyl)silyl]oxy]silyloxysilyloxysilyl]propyl acetate.
What is the SMILES notation for 3-[dimethyl-tris[[3-acetyloxypropyl(dimethyl)silyl]oxy]silyloxysilyloxysilyl]propyl acetate?
The canonical SMILES for 3-[dimethyl-tris[[3-acetyloxypropyl(dimethyl)silyl]oxy]silyloxysilyloxysilyl]propyl acetate is CC(=O)OCCC[Si](C)(C)O[SiH2]O[Si](O[Si](C)(C)CCCOC(C)=O)(O[Si](C)(C)CCCOC(C)=O)O[Si](C)(C)CCCOC(C)=O.
What is the InChIKey of 3-[dimethyl-tris[[3-acetyloxypropyl(dimethyl)silyl]oxy]silyloxysilyloxysilyl]propyl acetate?
The InChIKey is CBFLYJHGPLUOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H62O13Si6/c1-25(29)33-17-13-21-43(5,6)37-42-38-47(39-44(7,8)22-14-18-34-26(2)30,40-45(9,10)23-15-19-35-27(3)31)41-46(11,12)24-16-20-36-28(4)32/h13-24,42H2,1-12H3.
What are the key properties of 3-[dimethyl-tris[[3-acetyloxypropyl(dimethyl)silyl]oxy]silyloxysilyloxysilyl]propyl acetate?
3-[dimethyl-tris[[3-acetyloxypropyl(dimethyl)silyl]oxy]silyloxysilyloxysilyl]propyl acetate has a molecular weight of 775.31 g/mol, XLogP of 5.14, 26 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl-tris[[3-acetyloxypropyl(dimethyl)silyl]oxy]silyloxysilyloxysilyl]propyl acetate is sourced from PubChem (CID 154103827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).