4-[[3-but-2-enoyloxypropyl-bis(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butanoic acid

C19H42O7Si4 — CID 173409415

IUPAC4-[[3-but-2-enoyloxypropyl-bis(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butanoic acid
SMILESCC=CC(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)CCCC(=O)O
InChIInChI=1S/C19H42O7Si4/c1-10-13-19(22)23-15-12-17-30(24-27(2,3)4,25-28(5,6)7)26-29(8,9)16-11-14-18(20)21/h10,13H,11-12,14-17H2,1-9H3,(H,20,21)
InChIKeyFCYWXZXNGXTDAS-UHFFFAOYSA-N
MW494.88 g/mol
LogP5.22
Rot. Bonds15

About 4-[[3-but-2-enoyloxypropyl-bis(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butanoic acid

4-[[3-but-2-enoyloxypropyl-bis(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butanoic acid (PubChem CID 173409415) has the molecular formula C19H42O7Si4 and a molecular weight of 494.88 g/mol. Its IUPAC name is 4-[[3-but-2-enoyloxypropyl-bis(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butanoic acid.

Molecular Properties

Compound Name4-[[3-but-2-enoyloxypropyl-bis(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butanoic acid
PubChem CID173409415
Molecular FormulaC19H42O7Si4
Molecular Weight494.88 g/mol
Exact Mass494.20
IUPAC Name4-[[3-but-2-enoyloxypropyl-bis(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butanoic acid
SMILESCC=CC(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)CCCC(=O)O
InChIInChI=1S/C19H42O7Si4/c1-10-13-19(22)23-15-12-17-30(24-27(2,3)4,25-28(5,6)7)26-29(8,9)16-11-14-18(20)21/h10,13H,11-12,14-17H2,1-9H3,(H,20,21)
InChIKeyFCYWXZXNGXTDAS-UHFFFAOYSA-N
XLogP5.22
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.88
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate
CID 173363801
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
11-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylundecanoic acid
CID 58363243
bis[3-[dimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilyl]propyl] but-2-enedioate
CID 173321361
hydroxysilane;3-trimethoxysilylpropyl but-2-enoate
CID 174908985
3-triacetyloxysilylpropyl but-2-enoate
CID 57008855
5-(4-but-2-enoyloxybutoxy)-5-oxopentanoic acid
CID 160682470
3-(3-trimethoxysilylpropoxy)propyl but-2-enoate
CID 141411136
3-[tris(2-methoxyethoxy)silyl]propyl but-2-enoate
CID 57295755
11-trimethoxysilylundecyl but-2-enoate
CID 141363372
3-tris(trimethylsilyloxy)silylpropyl carbamate
CID 23366258

Frequently Asked Questions

What is the IUPAC name of 4-[[3-but-2-enoyloxypropyl-bis(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butanoic acid?
The IUPAC name of 4-[[3-but-2-enoyloxypropyl-bis(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butanoic acid (CID 173409415) is 4-[[3-but-2-enoyloxypropyl-bis(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butanoic acid.
What is the SMILES notation for 4-[[3-but-2-enoyloxypropyl-bis(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butanoic acid?
The canonical SMILES for 4-[[3-but-2-enoyloxypropyl-bis(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butanoic acid is CC=CC(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)CCCC(=O)O.
What is the InChIKey of 4-[[3-but-2-enoyloxypropyl-bis(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butanoic acid?
The InChIKey is FCYWXZXNGXTDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O7Si4/c1-10-13-19(22)23-15-12-17-30(24-27(2,3)4,25-28(5,6)7)26-29(8,9)16-11-14-18(20)21/h10,13H,11-12,14-17H2,1-9H3,(H,20,21).
What are the key properties of 4-[[3-but-2-enoyloxypropyl-bis(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butanoic acid?
4-[[3-but-2-enoyloxypropyl-bis(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butanoic acid has a molecular weight of 494.88 g/mol, XLogP of 5.22, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-but-2-enoyloxypropyl-bis(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butanoic acid is sourced from PubChem (CID 173409415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).