[ditert-butyl(pentyl)silyl] 2-methyl-3-triethoxysilylpropanoate

C23H50O5Si2 — CID 155659210

IUPAC[ditert-butyl(pentyl)silyl] 2-methyl-3-triethoxysilylpropanoate
SMILESCCCCC[Si](OC(=O)C(C)C[Si](OCC)(OCC)OCC)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H50O5Si2/c1-12-16-17-18-29(22(6,7)8,23(9,10)11)28-21(24)20(5)19-30(25-13-2,26-14-3)27-15-4/h20H,12-19H2,1-11H3
InChIKeyWGJYWCIRWRWBQC-UHFFFAOYSA-N
MW462.82 g/mol
LogP6.95
Rot. Bonds14

About [ditert-butyl(pentyl)silyl] 2-methyl-3-triethoxysilylpropanoate

[ditert-butyl(pentyl)silyl] 2-methyl-3-triethoxysilylpropanoate (PubChem CID 155659210) has the molecular formula C23H50O5Si2 and a molecular weight of 462.82 g/mol. Its IUPAC name is [ditert-butyl(pentyl)silyl] 2-methyl-3-triethoxysilylpropanoate.

Molecular Properties

Compound Name[ditert-butyl(pentyl)silyl] 2-methyl-3-triethoxysilylpropanoate
PubChem CID155659210
Molecular FormulaC23H50O5Si2
Molecular Weight462.82 g/mol
Exact Mass462.32
IUPAC Name[ditert-butyl(pentyl)silyl] 2-methyl-3-triethoxysilylpropanoate
SMILESCCCCC[Si](OC(=O)C(C)C[Si](OCC)(OCC)OCC)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H50O5Si2/c1-12-16-17-18-29(22(6,7)8,23(9,10)11)28-21(24)20(5)19-30(25-13-2,26-14-3)27-15-4/h20H,12-19H2,1-11H3
InChIKeyWGJYWCIRWRWBQC-UHFFFAOYSA-N
XLogP6.95
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.82
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[dibutyl(tert-butyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659186
[pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659456
[hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659421
[cyclopentyl(dihexyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659474
[methyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 151495490
[ditert-butyl(cyclopentyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659528
[butan-2-yl-bis(2-methylpropyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659500
1-triethoxysilylheptan-2-amine
CID 90410833
CID 155659279
CID 155659279
CID 155659093
CID 155659093
triethoxy(henicosyl)silane
CID 141362894
dodecyl(triethoxy)silane;tridecane
CID 174970002

Frequently Asked Questions

What is the IUPAC name of [ditert-butyl(pentyl)silyl] 2-methyl-3-triethoxysilylpropanoate?
The IUPAC name of [ditert-butyl(pentyl)silyl] 2-methyl-3-triethoxysilylpropanoate (CID 155659210) is [ditert-butyl(pentyl)silyl] 2-methyl-3-triethoxysilylpropanoate.
What is the SMILES notation for [ditert-butyl(pentyl)silyl] 2-methyl-3-triethoxysilylpropanoate?
The canonical SMILES for [ditert-butyl(pentyl)silyl] 2-methyl-3-triethoxysilylpropanoate is CCCCC[Si](OC(=O)C(C)C[Si](OCC)(OCC)OCC)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of [ditert-butyl(pentyl)silyl] 2-methyl-3-triethoxysilylpropanoate?
The InChIKey is WGJYWCIRWRWBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O5Si2/c1-12-16-17-18-29(22(6,7)8,23(9,10)11)28-21(24)20(5)19-30(25-13-2,26-14-3)27-15-4/h20H,12-19H2,1-11H3.
What are the key properties of [ditert-butyl(pentyl)silyl] 2-methyl-3-triethoxysilylpropanoate?
[ditert-butyl(pentyl)silyl] 2-methyl-3-triethoxysilylpropanoate has a molecular weight of 462.82 g/mol, XLogP of 6.95, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [ditert-butyl(pentyl)silyl] 2-methyl-3-triethoxysilylpropanoate is sourced from PubChem (CID 155659210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).