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

C23H48O5Si2 — CID 155659528

IUPAC[ditert-butyl(cyclopentyl)silyl] 2-methyl-3-triethoxysilylpropanoate
SMILESCCO[Si](CC(C)C(=O)O[Si](C1CCCC1)(C(C)(C)C)C(C)(C)C)(OCC)OCC
InChIInChI=1S/C23H48O5Si2/c1-11-25-29(26-12-2,27-13-3)18-19(4)21(24)28-30(22(5,6)7,23(8,9)10)20-16-14-15-17-20/h19-20H,11-18H2,1-10H3
InChIKeyATFUJJADBAOGRU-UHFFFAOYSA-N
MW460.80 g/mol
LogP6.70
Rot. Bonds11

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

[ditert-butyl(cyclopentyl)silyl] 2-methyl-3-triethoxysilylpropanoate (PubChem CID 155659528) has the molecular formula C23H48O5Si2 and a molecular weight of 460.80 g/mol. Its IUPAC name is [ditert-butyl(cyclopentyl)silyl] 2-methyl-3-triethoxysilylpropanoate.

Molecular Properties

Compound Name[ditert-butyl(cyclopentyl)silyl] 2-methyl-3-triethoxysilylpropanoate
PubChem CID155659528
Molecular FormulaC23H48O5Si2
Molecular Weight460.80 g/mol
Exact Mass460.30
IUPAC Name[ditert-butyl(cyclopentyl)silyl] 2-methyl-3-triethoxysilylpropanoate
SMILESCCO[Si](CC(C)C(=O)O[Si](C1CCCC1)(C(C)(C)C)C(C)(C)C)(OCC)OCC
InChIInChI=1S/C23H48O5Si2/c1-11-25-29(26-12-2,27-13-3)18-19(4)21(24)28-30(22(5,6)7,23(8,9)10)20-16-14-15-17-20/h19-20H,11-18H2,1-10H3
InChIKeyATFUJJADBAOGRU-UHFFFAOYSA-N
XLogP6.70
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.80
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [ditert-butyl(cyclopentyl)silyl] 2-methyl-3-triethoxysilylpropanoate with MolForge

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Related Compounds

[cyclopentyl(dihexyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659474
[dibutyl(tert-butyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659186
[ditert-butyl(pentyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659210
[methyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 151495490
[butan-2-yl-bis(2-methylpropyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659500
CID 155659061
CID 155659061
[pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659456
[ditert-butyl(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate
CID 155659391
CID 155658985
CID 155658985
CID 155659383
CID 155659383
cyclohexyl(triethoxy)silane
CID 15653995
CID 155659303
CID 155659303

Frequently Asked Questions

What is the IUPAC name of [ditert-butyl(cyclopentyl)silyl] 2-methyl-3-triethoxysilylpropanoate?
The IUPAC name of [ditert-butyl(cyclopentyl)silyl] 2-methyl-3-triethoxysilylpropanoate (CID 155659528) is [ditert-butyl(cyclopentyl)silyl] 2-methyl-3-triethoxysilylpropanoate.
What is the SMILES notation for [ditert-butyl(cyclopentyl)silyl] 2-methyl-3-triethoxysilylpropanoate?
The canonical SMILES for [ditert-butyl(cyclopentyl)silyl] 2-methyl-3-triethoxysilylpropanoate is CCO[Si](CC(C)C(=O)O[Si](C1CCCC1)(C(C)(C)C)C(C)(C)C)(OCC)OCC.
What is the InChIKey of [ditert-butyl(cyclopentyl)silyl] 2-methyl-3-triethoxysilylpropanoate?
The InChIKey is ATFUJJADBAOGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O5Si2/c1-11-25-29(26-12-2,27-13-3)18-19(4)21(24)28-30(22(5,6)7,23(8,9)10)20-16-14-15-17-20/h19-20H,11-18H2,1-10H3.
What are the key properties of [ditert-butyl(cyclopentyl)silyl] 2-methyl-3-triethoxysilylpropanoate?
[ditert-butyl(cyclopentyl)silyl] 2-methyl-3-triethoxysilylpropanoate has a molecular weight of 460.80 g/mol, XLogP of 6.70, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [ditert-butyl(cyclopentyl)silyl] 2-methyl-3-triethoxysilylpropanoate is sourced from PubChem (CID 155659528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).