3-triphenylsilyloxysilylpropyl 2,2-dimethylbutanoate

C27H34O3Si2 — CID 123185629

IUPAC3-triphenylsilyloxysilylpropyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCC[SiH2]O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34O3Si2/c1-4-27(2,3)26(28)29-21-14-22-31-30-32(23-15-8-5-9-16-23,24-17-10-6-11-18-24)25-19-12-7-13-20-25/h5-13,15-20H,4,14,21-22,31H2,1-3H3
InChIKeyDPVLEIZJWXCCFN-UHFFFAOYSA-N
MW462.74 g/mol
LogP3.54
Rot. Bonds11

About 3-triphenylsilyloxysilylpropyl 2,2-dimethylbutanoate

3-triphenylsilyloxysilylpropyl 2,2-dimethylbutanoate (PubChem CID 123185629) has the molecular formula C27H34O3Si2 and a molecular weight of 462.74 g/mol. Its IUPAC name is 3-triphenylsilyloxysilylpropyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name3-triphenylsilyloxysilylpropyl 2,2-dimethylbutanoate
PubChem CID123185629
Molecular FormulaC27H34O3Si2
Molecular Weight462.74 g/mol
Exact Mass462.20
IUPAC Name3-triphenylsilyloxysilylpropyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCC[SiH2]O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34O3Si2/c1-4-27(2,3)26(28)29-21-14-22-31-30-32(23-15-8-5-9-16-23,24-17-10-6-11-18-24)25-19-12-7-13-20-25/h5-13,15-20H,4,14,21-22,31H2,1-3H3
InChIKeyDPVLEIZJWXCCFN-UHFFFAOYSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.74
LogP ≤ 53.54
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-trimethylsilyloxysilylpropyl 2,2-dimethylbutanoate
CID 123433875
2-(4-triphenylsilylphenoxy)ethyl 2,2-dimethylbutanoate
CID 156654620
13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963
pentyl 2,2-dimethylbutanoate
CID 59940538
3-aminopropyl 2,2-dimethylbutanoate
CID 88947753
2-diphenylphosphoryloxyethyl 2,2-dimethylbutanoate
CID 164525001
3-tritritiooxysilylpropyl 2,2-dimethylbutanoate
CID 140697808
3-[diphenyl(silyloxy)silyl]oxysilylpropyl 2-methylprop-2-enoate
CID 175109238
2-(2,2-dimethylbutanoyloxy)ethyl 2-hydroxybenzoate
CID 58887334
benzyl-[2-(2,2-dimethylbutanoyloxy)ethyl]-diethylazanium
CID 23545031
3-sulfanylpropyl 2,2-dimethylbutanoate
CID 89322969
2-[(2-phenylacetyl)amino]ethyl 2,2-dimethylbutanoate
CID 159462856

Frequently Asked Questions

What is the IUPAC name of 3-triphenylsilyloxysilylpropyl 2,2-dimethylbutanoate?
The IUPAC name of 3-triphenylsilyloxysilylpropyl 2,2-dimethylbutanoate (CID 123185629) is 3-triphenylsilyloxysilylpropyl 2,2-dimethylbutanoate.
What is the SMILES notation for 3-triphenylsilyloxysilylpropyl 2,2-dimethylbutanoate?
The canonical SMILES for 3-triphenylsilyloxysilylpropyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCCC[SiH2]O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-triphenylsilyloxysilylpropyl 2,2-dimethylbutanoate?
The InChIKey is DPVLEIZJWXCCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34O3Si2/c1-4-27(2,3)26(28)29-21-14-22-31-30-32(23-15-8-5-9-16-23,24-17-10-6-11-18-24)25-19-12-7-13-20-25/h5-13,15-20H,4,14,21-22,31H2,1-3H3.
What are the key properties of 3-triphenylsilyloxysilylpropyl 2,2-dimethylbutanoate?
3-triphenylsilyloxysilylpropyl 2,2-dimethylbutanoate has a molecular weight of 462.74 g/mol, XLogP of 3.54, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triphenylsilyloxysilylpropyl 2,2-dimethylbutanoate is sourced from PubChem (CID 123185629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).