2-[[bis[[2-acetyloxyethyl(dimethyl)silyl]oxy]-[3-(2-methylprop-2-enoxy)propyl]silyl]oxy-dimethylsilyl]ethyl acetate

C25H52O10Si4 — CID 88718474

IUPAC2-[[bis[[2-acetyloxyethyl(dimethyl)silyl]oxy]-[3-(2-methylprop-2-enoxy)propyl]silyl]oxy-dimethylsilyl]ethyl acetate
SMILESC=C(C)COCCC[Si](O[Si](C)(C)CCOC(C)=O)(O[Si](C)(C)CCOC(C)=O)O[Si](C)(C)CCOC(C)=O
InChIInChI=1S/C25H52O10Si4/c1-22(2)21-29-13-12-17-39(33-36(6,7)18-14-30-23(3)26,34-37(8,9)19-15-31-24(4)27)35-38(10,11)20-16-32-25(5)28/h1,12-21H2,2-11H3
InChIKeyODSGRHQRUCVTIJ-UHFFFAOYSA-N
MW625.03 g/mol
LogP5.26
Rot. Bonds21

About 2-[[bis[[2-acetyloxyethyl(dimethyl)silyl]oxy]-[3-(2-methylprop-2-enoxy)propyl]silyl]oxy-dimethylsilyl]ethyl acetate

2-[[bis[[2-acetyloxyethyl(dimethyl)silyl]oxy]-[3-(2-methylprop-2-enoxy)propyl]silyl]oxy-dimethylsilyl]ethyl acetate (PubChem CID 88718474) has the molecular formula C25H52O10Si4 and a molecular weight of 625.03 g/mol. Its IUPAC name is 2-[[bis[[2-acetyloxyethyl(dimethyl)silyl]oxy]-[3-(2-methylprop-2-enoxy)propyl]silyl]oxy-dimethylsilyl]ethyl acetate.

Molecular Properties

Compound Name2-[[bis[[2-acetyloxyethyl(dimethyl)silyl]oxy]-[3-(2-methylprop-2-enoxy)propyl]silyl]oxy-dimethylsilyl]ethyl acetate
PubChem CID88718474
Molecular FormulaC25H52O10Si4
Molecular Weight625.03 g/mol
Exact Mass624.26
IUPAC Name2-[[bis[[2-acetyloxyethyl(dimethyl)silyl]oxy]-[3-(2-methylprop-2-enoxy)propyl]silyl]oxy-dimethylsilyl]ethyl acetate
SMILESC=C(C)COCCC[Si](O[Si](C)(C)CCOC(C)=O)(O[Si](C)(C)CCOC(C)=O)O[Si](C)(C)CCOC(C)=O
InChIInChI=1S/C25H52O10Si4/c1-22(2)21-29-13-12-17-39(33-36(6,7)18-14-30-23(3)26,34-37(8,9)19-15-31-24(4)27)35-38(10,11)20-16-32-25(5)28/h1,12-21H2,2-11H3
InChIKeyODSGRHQRUCVTIJ-UHFFFAOYSA-N
XLogP5.26
TPSA115.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.03
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[3-(2-methylprop-2-enoxy)propyl-[3-(2-methylprop-2-enoxy)propyl-bis(trimethylsilyloxy)silyl]oxy-trimethylsilyloxysilyl]oxysilane
CID 87093098
3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate
CID 173363801
3-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylpropyl 2-methylprop-2-enoate
CID 88568225
trichloro-[3-(2-methylprop-2-enoxy)propyl]silane
CID 20563726
3-[acetyloxy(dimethyl)silyl]propyl acetate
CID 18787770
4-(2-methylprop-2-enoxy)butanoic acid
CID 10103402
2-[3-[bis[[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]silyl]oxy]-methylsilyl]propoxy]ethyl-trimethylazanium
CID 58901099
3-[hydroxy(dimethyl)silyl]propyl acetate
CID 71325011
2-[3-[[[[[[[[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate
CID 59620846
3-[[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 164811987
2-[buta-2,3-dienoxy(dimethyl)silyl]ethyl acetate
CID 134885123
3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 22094222

Frequently Asked Questions

What is the IUPAC name of 2-[[bis[[2-acetyloxyethyl(dimethyl)silyl]oxy]-[3-(2-methylprop-2-enoxy)propyl]silyl]oxy-dimethylsilyl]ethyl acetate?
The IUPAC name of 2-[[bis[[2-acetyloxyethyl(dimethyl)silyl]oxy]-[3-(2-methylprop-2-enoxy)propyl]silyl]oxy-dimethylsilyl]ethyl acetate (CID 88718474) is 2-[[bis[[2-acetyloxyethyl(dimethyl)silyl]oxy]-[3-(2-methylprop-2-enoxy)propyl]silyl]oxy-dimethylsilyl]ethyl acetate.
What is the SMILES notation for 2-[[bis[[2-acetyloxyethyl(dimethyl)silyl]oxy]-[3-(2-methylprop-2-enoxy)propyl]silyl]oxy-dimethylsilyl]ethyl acetate?
The canonical SMILES for 2-[[bis[[2-acetyloxyethyl(dimethyl)silyl]oxy]-[3-(2-methylprop-2-enoxy)propyl]silyl]oxy-dimethylsilyl]ethyl acetate is C=C(C)COCCC[Si](O[Si](C)(C)CCOC(C)=O)(O[Si](C)(C)CCOC(C)=O)O[Si](C)(C)CCOC(C)=O.
What is the InChIKey of 2-[[bis[[2-acetyloxyethyl(dimethyl)silyl]oxy]-[3-(2-methylprop-2-enoxy)propyl]silyl]oxy-dimethylsilyl]ethyl acetate?
The InChIKey is ODSGRHQRUCVTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O10Si4/c1-22(2)21-29-13-12-17-39(33-36(6,7)18-14-30-23(3)26,34-37(8,9)19-15-31-24(4)27)35-38(10,11)20-16-32-25(5)28/h1,12-21H2,2-11H3.
What are the key properties of 2-[[bis[[2-acetyloxyethyl(dimethyl)silyl]oxy]-[3-(2-methylprop-2-enoxy)propyl]silyl]oxy-dimethylsilyl]ethyl acetate?
2-[[bis[[2-acetyloxyethyl(dimethyl)silyl]oxy]-[3-(2-methylprop-2-enoxy)propyl]silyl]oxy-dimethylsilyl]ethyl acetate has a molecular weight of 625.03 g/mol, XLogP of 5.26, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis[[2-acetyloxyethyl(dimethyl)silyl]oxy]-[3-(2-methylprop-2-enoxy)propyl]silyl]oxy-dimethylsilyl]ethyl acetate is sourced from PubChem (CID 88718474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).