3-silylpropyl 3-methyl-2-[2-tris(trimethylsilyloxy)silyloxan-2-yl]but-2-enoate

C22H50O6Si5 — CID 123897403

IUPAC3-silylpropyl 3-methyl-2-[2-tris(trimethylsilyloxy)silyloxan-2-yl]but-2-enoate
SMILESCC(C)=C(C(=O)OCCC[SiH3])C1([Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)CCCCO1
InChIInChI=1S/C22H50O6Si5/c1-19(2)20(21(23)24-16-14-18-29)22(15-12-13-17-25-22)33(26-30(3,4)5,27-31(6,7)8)28-32(9,10)11/h12-18H2,1-11,29H3
InChIKeyXVDOYFRJQLOVDD-UHFFFAOYSA-N
MW551.07 g/mol
LogP5.01
Rot. Bonds12

About 3-silylpropyl 3-methyl-2-[2-tris(trimethylsilyloxy)silyloxan-2-yl]but-2-enoate

3-silylpropyl 3-methyl-2-[2-tris(trimethylsilyloxy)silyloxan-2-yl]but-2-enoate (PubChem CID 123897403) has the molecular formula C22H50O6Si5 and a molecular weight of 551.07 g/mol. Its IUPAC name is 3-silylpropyl 3-methyl-2-[2-tris(trimethylsilyloxy)silyloxan-2-yl]but-2-enoate.

Molecular Properties

Compound Name3-silylpropyl 3-methyl-2-[2-tris(trimethylsilyloxy)silyloxan-2-yl]but-2-enoate
PubChem CID123897403
Molecular FormulaC22H50O6Si5
Molecular Weight551.07 g/mol
Exact Mass550.25
IUPAC Name3-silylpropyl 3-methyl-2-[2-tris(trimethylsilyloxy)silyloxan-2-yl]but-2-enoate
SMILESCC(C)=C(C(=O)OCCC[SiH3])C1([Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)CCCCO1
InChIInChI=1S/C22H50O6Si5/c1-19(2)20(21(23)24-16-14-18-29)22(15-12-13-17-25-22)33(26-30(3,4)5,27-31(6,7)8)28-32(9,10)11/h12-18H2,1-11,29H3
InChIKeyXVDOYFRJQLOVDD-UHFFFAOYSA-N
XLogP5.01
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.07
LogP ≤ 55.01
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 3-silylpropyl 3-methyl-2-[2-tris(trimethylsilyloxy)silyloxan-2-yl]but-2-enoate?
The IUPAC name of 3-silylpropyl 3-methyl-2-[2-tris(trimethylsilyloxy)silyloxan-2-yl]but-2-enoate (CID 123897403) is 3-silylpropyl 3-methyl-2-[2-tris(trimethylsilyloxy)silyloxan-2-yl]but-2-enoate.
What is the SMILES notation for 3-silylpropyl 3-methyl-2-[2-tris(trimethylsilyloxy)silyloxan-2-yl]but-2-enoate?
The canonical SMILES for 3-silylpropyl 3-methyl-2-[2-tris(trimethylsilyloxy)silyloxan-2-yl]but-2-enoate is CC(C)=C(C(=O)OCCC[SiH3])C1([Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)CCCCO1.
What is the InChIKey of 3-silylpropyl 3-methyl-2-[2-tris(trimethylsilyloxy)silyloxan-2-yl]but-2-enoate?
The InChIKey is XVDOYFRJQLOVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H50O6Si5/c1-19(2)20(21(23)24-16-14-18-29)22(15-12-13-17-25-22)33(26-30(3,4)5,27-31(6,7)8)28-32(9,10)11/h12-18H2,1-11,29H3.
What are the key properties of 3-silylpropyl 3-methyl-2-[2-tris(trimethylsilyloxy)silyloxan-2-yl]but-2-enoate?
3-silylpropyl 3-methyl-2-[2-tris(trimethylsilyloxy)silyloxan-2-yl]but-2-enoate has a molecular weight of 551.07 g/mol, XLogP of 5.01, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-silylpropyl 3-methyl-2-[2-tris(trimethylsilyloxy)silyloxan-2-yl]but-2-enoate is sourced from PubChem (CID 123897403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).