3-[dimethyl(triphenylsilyloxy)silyl]propyl 2-methylprop-2-enoate

C27H32O3Si2 — CID 11476705

IUPAC3-[dimethyl(triphenylsilyloxy)silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](C)(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32O3Si2/c1-23(2)27(28)29-21-14-22-31(3,4)30-32(24-15-8-5-9-16-24,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-13,15-20H,1,14,21-22H2,2-4H3
InChIKeyZUIKBNRUCNQHDX-UHFFFAOYSA-N
MW460.72 g/mol
LogP4.38
Rot. Bonds10

About 3-[dimethyl(triphenylsilyloxy)silyl]propyl 2-methylprop-2-enoate

3-[dimethyl(triphenylsilyloxy)silyl]propyl 2-methylprop-2-enoate (PubChem CID 11476705) has the molecular formula C27H32O3Si2 and a molecular weight of 460.72 g/mol. Its IUPAC name is 3-[dimethyl(triphenylsilyloxy)silyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[dimethyl(triphenylsilyloxy)silyl]propyl 2-methylprop-2-enoate
PubChem CID11476705
Molecular FormulaC27H32O3Si2
Molecular Weight460.72 g/mol
Exact Mass460.19
IUPAC Name3-[dimethyl(triphenylsilyloxy)silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](C)(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32O3Si2/c1-23(2)27(28)29-21-14-22-31(3,4)30-32(24-15-8-5-9-16-24,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-13,15-20H,1,14,21-22H2,2-4H3
InChIKeyZUIKBNRUCNQHDX-UHFFFAOYSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.72
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(triphenylsilyloxy)silyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[dimethyl(triphenylsilyloxy)silyl]propyl 2-methylprop-2-enoate (CID 11476705) is 3-[dimethyl(triphenylsilyloxy)silyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[dimethyl(triphenylsilyloxy)silyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[dimethyl(triphenylsilyloxy)silyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](C)(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[dimethyl(triphenylsilyloxy)silyl]propyl 2-methylprop-2-enoate?
The InChIKey is ZUIKBNRUCNQHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O3Si2/c1-23(2)27(28)29-21-14-22-31(3,4)30-32(24-15-8-5-9-16-24,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-13,15-20H,1,14,21-22H2,2-4H3.
What are the key properties of 3-[dimethyl(triphenylsilyloxy)silyl]propyl 2-methylprop-2-enoate?
3-[dimethyl(triphenylsilyloxy)silyl]propyl 2-methylprop-2-enoate has a molecular weight of 460.72 g/mol, XLogP of 4.38, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(triphenylsilyloxy)silyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 11476705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).