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

C21H46O5Si2 — CID 155659456

IUPAC[pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
SMILESCCCCC[Si](OC(=O)C(C)C[Si](OCC)(OCC)OCC)(C(C)C)C(C)C
InChIInChI=1S/C21H46O5Si2/c1-10-14-15-16-27(18(5)6,19(7)8)26-21(22)20(9)17-28(23-11-2,24-12-3)25-13-4/h18-20H,10-17H2,1-9H3
InChIKeyXPETVTYSSQCGPZ-UHFFFAOYSA-N
MW434.77 g/mol
LogP6.17
Rot. Bonds16

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

[pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate (PubChem CID 155659456) has the molecular formula C21H46O5Si2 and a molecular weight of 434.77 g/mol. Its IUPAC name is [pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate.

Molecular Properties

Compound Name[pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
PubChem CID155659456
Molecular FormulaC21H46O5Si2
Molecular Weight434.77 g/mol
Exact Mass434.29
IUPAC Name[pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
SMILESCCCCC[Si](OC(=O)C(C)C[Si](OCC)(OCC)OCC)(C(C)C)C(C)C
InChIInChI=1S/C21H46O5Si2/c1-10-14-15-16-27(18(5)6,19(7)8)26-21(22)20(9)17-28(23-11-2,24-12-3)25-13-4/h18-20H,10-17H2,1-9H3
InChIKeyXPETVTYSSQCGPZ-UHFFFAOYSA-N
XLogP6.17
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.77
LogP ≤ 56.17
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

[hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659421
[ditert-butyl(pentyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659210
[dibutyl(tert-butyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659186
[cyclopentyl(dihexyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659474
[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
[butyl-di(propan-2-yl)silyl] prop-2-enoate
CID 87900059
[ditert-butyl(cyclopentyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659528
2-[diethoxy(undecyl)silyl]oxyethyl prop-2-enoate
CID 151648316
triethoxy(pentyl)silane;hydrofluoride
CID 174582602

Frequently Asked Questions

What is the IUPAC name of [pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate?
The IUPAC name of [pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate (CID 155659456) is [pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate.
What is the SMILES notation for [pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate?
The canonical SMILES for [pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate is CCCCC[Si](OC(=O)C(C)C[Si](OCC)(OCC)OCC)(C(C)C)C(C)C.
What is the InChIKey of [pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate?
The InChIKey is XPETVTYSSQCGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O5Si2/c1-10-14-15-16-27(18(5)6,19(7)8)26-21(22)20(9)17-28(23-11-2,24-12-3)25-13-4/h18-20H,10-17H2,1-9H3.
What are the key properties of [pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate?
[pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate has a molecular weight of 434.77 g/mol, XLogP of 6.17, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate is sourced from PubChem (CID 155659456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).