triethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate

C19H42O5Si2 — CID 86039074

IUPACtriethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate
SMILESCCO[Si](CCCC(C)(C)C(=O)O[Si](CC)(CC)CC)(OCC)OCC
InChIInChI=1S/C19H42O5Si2/c1-9-21-26(22-10-2,23-11-3)17-15-16-19(7,8)18(20)24-25(12-4,13-5)14-6/h9-17H2,1-8H3
InChIKeyULLNCXUDAMBLNF-UHFFFAOYSA-N
MW406.71 g/mol
LogP5.39
Rot. Bonds15

About triethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate

triethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate (PubChem CID 86039074) has the molecular formula C19H42O5Si2 and a molecular weight of 406.71 g/mol. Its IUPAC name is triethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate.

Molecular Properties

Compound Nametriethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate
PubChem CID86039074
Molecular FormulaC19H42O5Si2
Molecular Weight406.71 g/mol
Exact Mass406.26
IUPAC Nametriethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate
SMILESCCO[Si](CCCC(C)(C)C(=O)O[Si](CC)(CC)CC)(OCC)OCC
InChIInChI=1S/C19H42O5Si2/c1-9-21-26(22-10-2,23-11-3)17-15-16-19(7,8)18(20)24-25(12-4,13-5)14-6/h9-17H2,1-8H3
InChIKeyULLNCXUDAMBLNF-UHFFFAOYSA-N
XLogP5.39
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.71
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze triethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triethylsilyl 5-[dimethoxy(methyl)silyl]-2,2-dimethylpentanoate
CID 87832662
(2-methyl-5-triethoxysilylpentan-2-yl)urea
CID 87282445
3,3-bis(3-triethoxysilylpropyl)pentanebis(thioic S-acid)
CID 162187678
triethoxy-[3-[ethoxy(diethyl)silyl]propyl]silane
CID 87307259
4-triethoxysilylbutyl 2-bromo-2-methylpropanoate
CID 71424824
triethoxy(4,4,4-trifluorobutyl)silane
CID 22459507
triethoxy-[6-[ethoxy(diethyl)silyl]hexyl]silane
CID 123350004
triethylsilyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate
CID 88852142
triethylsilyl 2-methyl-3-[methyl(3-triethoxysilylpropyl)amino]propanoate
CID 88852119
2,2-dimethylbutanoic acid;methane;3-triethoxysilylpropyl 2,2-dimethylbutanoate
CID 158924041
1,9-bis(triethoxysilyl)nonan-5-one
CID 158928265
ethyl carbamate;3-triethoxysilylpropan-1-amine
CID 90205560

Frequently Asked Questions

What is the IUPAC name of triethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate?
The IUPAC name of triethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate (CID 86039074) is triethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate.
What is the SMILES notation for triethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate?
The canonical SMILES for triethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate is CCO[Si](CCCC(C)(C)C(=O)O[Si](CC)(CC)CC)(OCC)OCC.
What is the InChIKey of triethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate?
The InChIKey is ULLNCXUDAMBLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O5Si2/c1-9-21-26(22-10-2,23-11-3)17-15-16-19(7,8)18(20)24-25(12-4,13-5)14-6/h9-17H2,1-8H3.
What are the key properties of triethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate?
triethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate has a molecular weight of 406.71 g/mol, XLogP of 5.39, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate is sourced from PubChem (CID 86039074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).