[dibutyl(tert-butyl)silyl] 2-methyl-3-triethoxysilylpropanoate

C22H48O5Si2 — CID 155659186

IUPAC[dibutyl(tert-butyl)silyl] 2-methyl-3-triethoxysilylpropanoate
SMILESCCCC[Si](CCCC)(OC(=O)C(C)C[Si](OCC)(OCC)OCC)C(C)(C)C
InChIInChI=1S/C22H48O5Si2/c1-10-15-17-28(18-16-11-2,22(7,8)9)27-21(23)20(6)19-29(24-12-3,25-13-4)26-14-5/h20H,10-19H2,1-9H3
InChIKeyAHDVSGOSRRDGEE-UHFFFAOYSA-N
MW448.79 g/mol
LogP6.56
Rot. Bonds16

About [dibutyl(tert-butyl)silyl] 2-methyl-3-triethoxysilylpropanoate

[dibutyl(tert-butyl)silyl] 2-methyl-3-triethoxysilylpropanoate (PubChem CID 155659186) has the molecular formula C22H48O5Si2 and a molecular weight of 448.79 g/mol. Its IUPAC name is [dibutyl(tert-butyl)silyl] 2-methyl-3-triethoxysilylpropanoate.

Molecular Properties

Compound Name[dibutyl(tert-butyl)silyl] 2-methyl-3-triethoxysilylpropanoate
PubChem CID155659186
Molecular FormulaC22H48O5Si2
Molecular Weight448.79 g/mol
Exact Mass448.30
IUPAC Name[dibutyl(tert-butyl)silyl] 2-methyl-3-triethoxysilylpropanoate
SMILESCCCC[Si](CCCC)(OC(=O)C(C)C[Si](OCC)(OCC)OCC)C(C)(C)C
InChIInChI=1S/C22H48O5Si2/c1-10-15-17-28(18-16-11-2,22(7,8)9)27-21(23)20(6)19-29(24-12-3,25-13-4)26-14-5/h20H,10-19H2,1-9H3
InChIKeyAHDVSGOSRRDGEE-UHFFFAOYSA-N
XLogP6.56
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.79
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[ditert-butyl(pentyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659210
[pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659456
[hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659421
[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
[cyclopentyl(dihexyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659474
CID 155659093
CID 155659093
butyl(triethoxy)silane;tert-butyl(triethoxy)silane
CID 175188929
[ditert-butyl(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate
CID 155659391
4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one
CID 87593623
[2-methyl-3-[2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoyl]oxypropyl] 2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoate
CID 59620749

Frequently Asked Questions

What is the IUPAC name of [dibutyl(tert-butyl)silyl] 2-methyl-3-triethoxysilylpropanoate?
The IUPAC name of [dibutyl(tert-butyl)silyl] 2-methyl-3-triethoxysilylpropanoate (CID 155659186) is [dibutyl(tert-butyl)silyl] 2-methyl-3-triethoxysilylpropanoate.
What is the SMILES notation for [dibutyl(tert-butyl)silyl] 2-methyl-3-triethoxysilylpropanoate?
The canonical SMILES for [dibutyl(tert-butyl)silyl] 2-methyl-3-triethoxysilylpropanoate is CCCC[Si](CCCC)(OC(=O)C(C)C[Si](OCC)(OCC)OCC)C(C)(C)C.
What is the InChIKey of [dibutyl(tert-butyl)silyl] 2-methyl-3-triethoxysilylpropanoate?
The InChIKey is AHDVSGOSRRDGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48O5Si2/c1-10-15-17-28(18-16-11-2,22(7,8)9)27-21(23)20(6)19-29(24-12-3,25-13-4)26-14-5/h20H,10-19H2,1-9H3.
What are the key properties of [dibutyl(tert-butyl)silyl] 2-methyl-3-triethoxysilylpropanoate?
[dibutyl(tert-butyl)silyl] 2-methyl-3-triethoxysilylpropanoate has a molecular weight of 448.79 g/mol, XLogP of 6.56, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutyl(tert-butyl)silyl] 2-methyl-3-triethoxysilylpropanoate is sourced from PubChem (CID 155659186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).