4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate

C28H34O3Si2 — CID 58918436

IUPAC4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC[Si](C)(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34O3Si2/c1-24(2)28(29)30-22-14-15-23-32(3,4)31-33(25-16-8-5-9-17-25,26-18-10-6-11-19-26)27-20-12-7-13-21-27/h5-13,16-21H,1,14-15,22-23H2,2-4H3
InChIKeyZCXJZZMBDZSQNS-UHFFFAOYSA-N
MW474.75 g/mol
LogP4.77
Rot. Bonds11

About 4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate

4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate (PubChem CID 58918436) has the molecular formula C28H34O3Si2 and a molecular weight of 474.75 g/mol. Its IUPAC name is 4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate
PubChem CID58918436
Molecular FormulaC28H34O3Si2
Molecular Weight474.75 g/mol
Exact Mass474.20
IUPAC Name4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC[Si](C)(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34O3Si2/c1-24(2)28(29)30-22-14-15-23-32(3,4)31-33(25-16-8-5-9-17-25,26-18-10-6-11-19-26)27-20-12-7-13-21-27/h5-13,16-21H,1,14-15,22-23H2,2-4H3
InChIKeyZCXJZZMBDZSQNS-UHFFFAOYSA-N
XLogP4.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.75
LogP ≤ 54.77
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 4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate?
The IUPAC name of 4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate (CID 58918436) is 4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate?
The canonical SMILES for 4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC[Si](C)(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate?
The InChIKey is ZCXJZZMBDZSQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O3Si2/c1-24(2)28(29)30-22-14-15-23-32(3,4)31-33(25-16-8-5-9-17-25,26-18-10-6-11-19-26)27-20-12-7-13-21-27/h5-13,16-21H,1,14-15,22-23H2,2-4H3.
What are the key properties of 4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate?
4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate has a molecular weight of 474.75 g/mol, XLogP of 4.77, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate is sourced from PubChem (CID 58918436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).