3-[tris[[ethenyl(dimethyl)silyl]oxy]silylmethoxy]but-3-en-2-one

C17H34O5Si4 — CID 141208263

IUPAC3-[tris[[ethenyl(dimethyl)silyl]oxy]silylmethoxy]but-3-en-2-one
SMILESC=C[Si](C)(C)O[Si](COC(=C)C(C)=O)(O[Si](C)(C)C=C)O[Si](C)(C)C=C
InChIInChI=1S/C17H34O5Si4/c1-12-23(6,7)20-26(21-24(8,9)13-2,22-25(10,11)14-3)15-19-17(5)16(4)18/h12-14H,1-3,5,15H2,4,6-11H3
InChIKeyPRTNYSPYIQVUFR-UHFFFAOYSA-N
MW430.80 g/mol
LogP4.42
Rot. Bonds13

About 3-[tris[[ethenyl(dimethyl)silyl]oxy]silylmethoxy]but-3-en-2-one

3-[tris[[ethenyl(dimethyl)silyl]oxy]silylmethoxy]but-3-en-2-one (PubChem CID 141208263) has the molecular formula C17H34O5Si4 and a molecular weight of 430.80 g/mol. Its IUPAC name is 3-[tris[[ethenyl(dimethyl)silyl]oxy]silylmethoxy]but-3-en-2-one.

Molecular Properties

Compound Name3-[tris[[ethenyl(dimethyl)silyl]oxy]silylmethoxy]but-3-en-2-one
PubChem CID141208263
Molecular FormulaC17H34O5Si4
Molecular Weight430.80 g/mol
Exact Mass430.15
IUPAC Name3-[tris[[ethenyl(dimethyl)silyl]oxy]silylmethoxy]but-3-en-2-one
SMILESC=C[Si](C)(C)O[Si](COC(=C)C(C)=O)(O[Si](C)(C)C=C)O[Si](C)(C)C=C
InChIInChI=1S/C17H34O5Si4/c1-12-23(6,7)20-26(21-24(8,9)13-2,22-25(10,11)14-3)15-19-17(5)16(4)18/h12-14H,1-3,5,15H2,4,6-11H3
InChIKeyPRTNYSPYIQVUFR-UHFFFAOYSA-N
XLogP4.42
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.80
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tris[[ethenyl(dimethyl)silyl]oxy]silylmethyl 2-methylprop-2-enoate
CID 87101348
3-prop-2-enoxybut-3-en-2-one
CID 71774350
3-[bis[[ethenyl(dimethyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate
CID 22325845
3-[[[[ethenyl(dimethyl)silyl]oxy-dimethylsilyl]methyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 140713622
3-(2,2,2-trifluoroethoxy)but-3-en-2-one
CID 71773825
3-(2-hydroxyethoxy)but-3-en-2-one
CID 71774845
3-[bis[[ethenyl(dimethyl)silyl]oxy]methylsilyl]propyl 2-methylprop-2-enoate
CID 154059943
3-[bis[[ethenyl(dimethyl)silyl]oxy]-methylsilyl]propyl but-2-enoate
CID 57240407
1-tris[[ethenyl(dimethyl)silyl]oxy]silylpropyl prop-2-enoate
CID 87532765
tris(tripropylsilyloxy)silylmethyl 2-methylprop-2-enoate
CID 171058420
3-(3-triethoxysilylpropoxy)but-3-en-2-one
CID 59428530
tris(2-methylprop-2-enyl)silylmethyl prop-2-enoate
CID 167321925

Frequently Asked Questions

What is the IUPAC name of 3-[tris[[ethenyl(dimethyl)silyl]oxy]silylmethoxy]but-3-en-2-one?
The IUPAC name of 3-[tris[[ethenyl(dimethyl)silyl]oxy]silylmethoxy]but-3-en-2-one (CID 141208263) is 3-[tris[[ethenyl(dimethyl)silyl]oxy]silylmethoxy]but-3-en-2-one.
What is the SMILES notation for 3-[tris[[ethenyl(dimethyl)silyl]oxy]silylmethoxy]but-3-en-2-one?
The canonical SMILES for 3-[tris[[ethenyl(dimethyl)silyl]oxy]silylmethoxy]but-3-en-2-one is C=C[Si](C)(C)O[Si](COC(=C)C(C)=O)(O[Si](C)(C)C=C)O[Si](C)(C)C=C.
What is the InChIKey of 3-[tris[[ethenyl(dimethyl)silyl]oxy]silylmethoxy]but-3-en-2-one?
The InChIKey is PRTNYSPYIQVUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O5Si4/c1-12-23(6,7)20-26(21-24(8,9)13-2,22-25(10,11)14-3)15-19-17(5)16(4)18/h12-14H,1-3,5,15H2,4,6-11H3.
What are the key properties of 3-[tris[[ethenyl(dimethyl)silyl]oxy]silylmethoxy]but-3-en-2-one?
3-[tris[[ethenyl(dimethyl)silyl]oxy]silylmethoxy]but-3-en-2-one has a molecular weight of 430.80 g/mol, XLogP of 4.42, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tris[[ethenyl(dimethyl)silyl]oxy]silylmethoxy]but-3-en-2-one is sourced from PubChem (CID 141208263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).