triethylsilyl 5-[dimethoxy(methyl)silyl]-2,2-dimethylpentanoate

C16H36O4Si2 — CID 87832662

IUPACtriethylsilyl 5-[dimethoxy(methyl)silyl]-2,2-dimethylpentanoate
SMILESCC[Si](CC)(CC)OC(=O)C(C)(C)CCC[Si](C)(OC)OC
InChIInChI=1S/C16H36O4Si2/c1-9-22(10-2,11-3)20-15(17)16(4,5)13-12-14-21(8,18-6)19-7/h9-14H2,1-8H3
InChIKeyBRNKGHPXRVJTQX-UHFFFAOYSA-N
MW348.63 g/mol
LogP4.71
Rot. Bonds11

About triethylsilyl 5-[dimethoxy(methyl)silyl]-2,2-dimethylpentanoate

triethylsilyl 5-[dimethoxy(methyl)silyl]-2,2-dimethylpentanoate (PubChem CID 87832662) has the molecular formula C16H36O4Si2 and a molecular weight of 348.63 g/mol. Its IUPAC name is triethylsilyl 5-[dimethoxy(methyl)silyl]-2,2-dimethylpentanoate.

Molecular Properties

Compound Nametriethylsilyl 5-[dimethoxy(methyl)silyl]-2,2-dimethylpentanoate
PubChem CID87832662
Molecular FormulaC16H36O4Si2
Molecular Weight348.63 g/mol
Exact Mass348.22
IUPAC Nametriethylsilyl 5-[dimethoxy(methyl)silyl]-2,2-dimethylpentanoate
SMILESCC[Si](CC)(CC)OC(=O)C(C)(C)CCC[Si](C)(OC)OC
InChIInChI=1S/C16H36O4Si2/c1-9-22(10-2,11-3)20-15(17)16(4,5)13-12-14-21(8,18-6)19-7/h9-14H2,1-8H3
InChIKeyBRNKGHPXRVJTQX-UHFFFAOYSA-N
XLogP4.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

triethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate
CID 86039074
5-[dimethoxy(methyl)silyl]pentanamide
CID 162121035
triethylsilyl 2,2,2-trifluoroacetate
CID 11831178
bis(triethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioate
CID 88852356
[11-[dimethoxy(methyl)silyl]-2,2,4,4,6,6,8,8-octamethylundecyl]-dimethoxy-methylsilane;methane
CID 160772440
5-[dimethoxy(methyl)silyl]pentyl-dimethoxy-methylsilane
CID 87101351
4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid
CID 87910081
[7-[dimethoxy(methyl)silyl]-4-[3-[dimethoxy(methyl)silyl]propyl]-4-silyloxyheptyl]-dimethoxy-methylsilane
CID 173168941
methyl 5-methoxy-2,2-dimethylpentanoate
CID 89066099
azanium methyl 2,2-dimethyloctadecanoate
CID 22238515
[6-[4-[7-[dimethoxy(methyl)silyl]-2,4,4-trimethylheptan-2-yl]phenyl]-4,4,6-trimethylheptyl]-dimethoxy-methylsilane
CID 58760845
dimethoxy-methyl-(4-trimethoxysilylbutyl)silane
CID 87101984

Frequently Asked Questions

What is the IUPAC name of triethylsilyl 5-[dimethoxy(methyl)silyl]-2,2-dimethylpentanoate?
The IUPAC name of triethylsilyl 5-[dimethoxy(methyl)silyl]-2,2-dimethylpentanoate (CID 87832662) is triethylsilyl 5-[dimethoxy(methyl)silyl]-2,2-dimethylpentanoate.
What is the SMILES notation for triethylsilyl 5-[dimethoxy(methyl)silyl]-2,2-dimethylpentanoate?
The canonical SMILES for triethylsilyl 5-[dimethoxy(methyl)silyl]-2,2-dimethylpentanoate is CC[Si](CC)(CC)OC(=O)C(C)(C)CCC[Si](C)(OC)OC.
What is the InChIKey of triethylsilyl 5-[dimethoxy(methyl)silyl]-2,2-dimethylpentanoate?
The InChIKey is BRNKGHPXRVJTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O4Si2/c1-9-22(10-2,11-3)20-15(17)16(4,5)13-12-14-21(8,18-6)19-7/h9-14H2,1-8H3.
What are the key properties of triethylsilyl 5-[dimethoxy(methyl)silyl]-2,2-dimethylpentanoate?
triethylsilyl 5-[dimethoxy(methyl)silyl]-2,2-dimethylpentanoate has a molecular weight of 348.63 g/mol, XLogP of 4.71, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl 5-[dimethoxy(methyl)silyl]-2,2-dimethylpentanoate is sourced from PubChem (CID 87832662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).