[hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate

C22H48O5Si2 — CID 155659421

IUPAC[hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
SMILESCCCCCC[Si](OC(=O)C(C)C[Si](OCC)(OCC)OCC)(C(C)C)C(C)C
InChIInChI=1S/C22H48O5Si2/c1-10-14-15-16-17-28(19(5)6,20(7)8)27-22(23)21(9)18-29(24-11-2,25-12-3)26-13-4/h19-21H,10-18H2,1-9H3
InChIKeyDXENMMGUIKOFSX-UHFFFAOYSA-N
MW448.79 g/mol
LogP6.56
Rot. Bonds17

About [hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate

[hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate (PubChem CID 155659421) has the molecular formula C22H48O5Si2 and a molecular weight of 448.79 g/mol. Its IUPAC name is [hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate.

Molecular Properties

Compound Name[hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
PubChem CID155659421
Molecular FormulaC22H48O5Si2
Molecular Weight448.79 g/mol
Exact Mass448.30
IUPAC Name[hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
SMILESCCCCCC[Si](OC(=O)C(C)C[Si](OCC)(OCC)OCC)(C(C)C)C(C)C
InChIInChI=1S/C22H48O5Si2/c1-10-14-15-16-17-28(19(5)6,20(7)8)27-22(23)21(9)18-29(24-11-2,25-12-3)26-13-4/h19-21H,10-18H2,1-9H3
InChIKeyDXENMMGUIKOFSX-UHFFFAOYSA-N
XLogP6.56
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659456
[ditert-butyl(pentyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659210
[cyclopentyl(dihexyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659474
[dibutyl(tert-butyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659186
[methyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 151495490
[octadecyl-di(propan-2-yl)silyl] prop-2-enoate
CID 87900076
[butan-2-yl-bis(2-methylpropyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659500
[butyl-di(propan-2-yl)silyl] acetate
CID 87113830
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
[butyl-di(propan-2-yl)silyl] prop-2-enoate
CID 87900059

Frequently Asked Questions

What is the IUPAC name of [hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate?
The IUPAC name of [hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate (CID 155659421) is [hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate.
What is the SMILES notation for [hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate?
The canonical SMILES for [hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate is CCCCCC[Si](OC(=O)C(C)C[Si](OCC)(OCC)OCC)(C(C)C)C(C)C.
What is the InChIKey of [hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate?
The InChIKey is DXENMMGUIKOFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48O5Si2/c1-10-14-15-16-17-28(19(5)6,20(7)8)27-22(23)21(9)18-29(24-11-2,25-12-3)26-13-4/h19-21H,10-18H2,1-9H3.
What are the key properties of [hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate?
[hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate has a molecular weight of 448.79 g/mol, XLogP of 6.56, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate is sourced from PubChem (CID 155659421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).