3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate

C20H44O7Si4 — CID 173363801

IUPAC3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)CCCOC(C)=O
InChIInChI=1S/C20H44O7Si4/c1-11-14-20(22)24-16-13-18-31(25-28(3,4)5,26-29(6,7)8)27-30(9,10)17-12-15-23-19(2)21/h11,14H,12-13,15-18H2,1-10H3
InChIKeyPSYJVHZFFCUIRK-UHFFFAOYSA-N
MW508.91 g/mol
LogP5.31
Rot. Bonds15

About 3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate

3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate (PubChem CID 173363801) has the molecular formula C20H44O7Si4 and a molecular weight of 508.91 g/mol. Its IUPAC name is 3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate.

Molecular Properties

Compound Name3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate
PubChem CID173363801
Molecular FormulaC20H44O7Si4
Molecular Weight508.91 g/mol
Exact Mass508.22
IUPAC Name3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)CCCOC(C)=O
InChIInChI=1S/C20H44O7Si4/c1-11-14-20(22)24-16-13-18-31(25-28(3,4)5,26-29(6,7)8)27-30(9,10)17-12-15-23-19(2)21/h11,14H,12-13,15-18H2,1-10H3
InChIKeyPSYJVHZFFCUIRK-UHFFFAOYSA-N
XLogP5.31
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.91
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[[3-but-2-enoyloxypropyl-bis(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butanoic acid
CID 173409415
3-triacetyloxysilylpropyl but-2-enoate
CID 57008855
3-[tris[tris(hydroxymethyl)silyloxy]silyl]propyl but-2-enoate
CID 91235537
1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate
CID 54485160
bis[3-[dimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilyl]propyl] but-2-enedioate
CID 173321361
hydroxysilane;3-trimethoxysilylpropyl but-2-enoate
CID 174908985
3-(3-trimethoxysilylpropoxy)propyl but-2-enoate
CID 141411136
3-[tris(2-methoxyethoxy)silyl]propyl but-2-enoate
CID 57295755
3-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylpropyl 2-methylprop-2-enoate
CID 88568225
11-trimethoxysilylundecyl but-2-enoate
CID 141363372
3-tris(trimethylsilyloxy)silylpropyl carbamate
CID 23366258
3-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate
CID 166010478

Frequently Asked Questions

What is the IUPAC name of 3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate?
The IUPAC name of 3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate (CID 173363801) is 3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate.
What is the SMILES notation for 3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate?
The canonical SMILES for 3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate is CC=CC(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)CCCOC(C)=O.
What is the InChIKey of 3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate?
The InChIKey is PSYJVHZFFCUIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O7Si4/c1-11-14-20(22)24-16-13-18-31(25-28(3,4)5,26-29(6,7)8)27-30(9,10)17-12-15-23-19(2)21/h11,14H,12-13,15-18H2,1-10H3.
What are the key properties of 3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate?
3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate has a molecular weight of 508.91 g/mol, XLogP of 5.31, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate is sourced from PubChem (CID 173363801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).