[butan-2-yl-bis(2-methylpropyl)silyl] 2-methyl-3-triethoxysilylpropanoate

C22H48O5Si2 — CID 155659500

IUPAC[butan-2-yl-bis(2-methylpropyl)silyl] 2-methyl-3-triethoxysilylpropanoate
SMILESCCO[Si](CC(C)C(=O)O[Si](CC(C)C)(CC(C)C)C(C)CC)(OCC)OCC
InChIInChI=1S/C22H48O5Si2/c1-11-21(10)28(15-18(5)6,16-19(7)8)27-22(23)20(9)17-29(24-12-2,25-13-3)26-14-4/h18-21H,11-17H2,1-10H3
InChIKeyXGGKMKOLKZIVSR-UHFFFAOYSA-N
MW448.79 g/mol
LogP6.27
Rot. Bonds16

About [butan-2-yl-bis(2-methylpropyl)silyl] 2-methyl-3-triethoxysilylpropanoate

[butan-2-yl-bis(2-methylpropyl)silyl] 2-methyl-3-triethoxysilylpropanoate (PubChem CID 155659500) has the molecular formula C22H48O5Si2 and a molecular weight of 448.79 g/mol. Its IUPAC name is [butan-2-yl-bis(2-methylpropyl)silyl] 2-methyl-3-triethoxysilylpropanoate.

Molecular Properties

Compound Name[butan-2-yl-bis(2-methylpropyl)silyl] 2-methyl-3-triethoxysilylpropanoate
PubChem CID155659500
Molecular FormulaC22H48O5Si2
Molecular Weight448.79 g/mol
Exact Mass448.30
IUPAC Name[butan-2-yl-bis(2-methylpropyl)silyl] 2-methyl-3-triethoxysilylpropanoate
SMILESCCO[Si](CC(C)C(=O)O[Si](CC(C)C)(CC(C)C)C(C)CC)(OCC)OCC
InChIInChI=1S/C22H48O5Si2/c1-11-21(10)28(15-18(5)6,16-19(7)8)27-22(23)20(9)17-29(24-12-2,25-13-3)26-14-4/h18-21H,11-17H2,1-10H3
InChIKeyXGGKMKOLKZIVSR-UHFFFAOYSA-N
XLogP6.27
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 ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [butan-2-yl-bis(2-methylpropyl)silyl] 2-methyl-3-triethoxysilylpropanoate with MolForge

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Related Compounds

[methyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 151495490
[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
[ditert-butyl(pentyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659210
[butan-2-yl-di(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate
CID 155659251
[ditert-butyl(cyclopentyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659528
[cyclopentyl(dihexyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659474
1-triethoxysilylpropan-2-amine
CID 10236113
triethoxy-(3-ethyl-2-methylpentyl)silane
CID 18696416
CID 155659287
CID 155659287
N-(4-methylpentan-2-ylidene)-3-triethoxysilylpropanamide
CID 142656935

Frequently Asked Questions

What is the IUPAC name of [butan-2-yl-bis(2-methylpropyl)silyl] 2-methyl-3-triethoxysilylpropanoate?
The IUPAC name of [butan-2-yl-bis(2-methylpropyl)silyl] 2-methyl-3-triethoxysilylpropanoate (CID 155659500) is [butan-2-yl-bis(2-methylpropyl)silyl] 2-methyl-3-triethoxysilylpropanoate.
What is the SMILES notation for [butan-2-yl-bis(2-methylpropyl)silyl] 2-methyl-3-triethoxysilylpropanoate?
The canonical SMILES for [butan-2-yl-bis(2-methylpropyl)silyl] 2-methyl-3-triethoxysilylpropanoate is CCO[Si](CC(C)C(=O)O[Si](CC(C)C)(CC(C)C)C(C)CC)(OCC)OCC.
What is the InChIKey of [butan-2-yl-bis(2-methylpropyl)silyl] 2-methyl-3-triethoxysilylpropanoate?
The InChIKey is XGGKMKOLKZIVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48O5Si2/c1-11-21(10)28(15-18(5)6,16-19(7)8)27-22(23)20(9)17-29(24-12-2,25-13-3)26-14-4/h18-21H,11-17H2,1-10H3.
What are the key properties of [butan-2-yl-bis(2-methylpropyl)silyl] 2-methyl-3-triethoxysilylpropanoate?
[butan-2-yl-bis(2-methylpropyl)silyl] 2-methyl-3-triethoxysilylpropanoate has a molecular weight of 448.79 g/mol, XLogP of 6.27, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [butan-2-yl-bis(2-methylpropyl)silyl] 2-methyl-3-triethoxysilylpropanoate is sourced from PubChem (CID 155659500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).