trimethylsilyl 2-ethyl-2-(2-ethylbutanoyloxymethyl)hexanoate

C18H36O4Si — CID 91696533

IUPACtrimethylsilyl 2-ethyl-2-(2-ethylbutanoyloxymethyl)hexanoate
SMILESCCCCC(CC)(COC(=O)C(CC)CC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C18H36O4Si/c1-8-12-13-18(11-4,17(20)22-23(5,6)7)14-21-16(19)15(9-2)10-3/h15H,8-14H2,1-7H3
InChIKeyIRXMEJJUWXFHFN-UHFFFAOYSA-N
MW344.57 g/mol
LogP4.93
Rot. Bonds11

About trimethylsilyl 2-ethyl-2-(2-ethylbutanoyloxymethyl)hexanoate

trimethylsilyl 2-ethyl-2-(2-ethylbutanoyloxymethyl)hexanoate (PubChem CID 91696533) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is trimethylsilyl 2-ethyl-2-(2-ethylbutanoyloxymethyl)hexanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-ethyl-2-(2-ethylbutanoyloxymethyl)hexanoate
PubChem CID91696533
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Nametrimethylsilyl 2-ethyl-2-(2-ethylbutanoyloxymethyl)hexanoate
SMILESCCCCC(CC)(COC(=O)C(CC)CC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C18H36O4Si/c1-8-12-13-18(11-4,17(20)22-23(5,6)7)14-21-16(19)15(9-2)10-3/h15H,8-14H2,1-7H3
InChIKeyIRXMEJJUWXFHFN-UHFFFAOYSA-N
XLogP4.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.93
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

Trimethylolpropane triethylhexanoate
CID 14366844
Diethyl 3-[[tert-butyl(dimethyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
CID 101154651
[2-Ethyl-2-(2-ethylhexanoyloxymethyl)hexyl] 2-ethylhexanoate
CID 139749089
[2-Ethyl-2-(2-ethylhexanoyloxymethyl)butyl] 2-ethylhexanoate
CID 139749098
Butylethylmalonic acid, bis(trimethylsilyl)-ester
CID 553120
Hexanoic acid, [3-(1,1,2-trimethylpropyl)dimethylsilyloxy-2-(ethoxycarbonyl)]propyl ester
CID 604412
[(3S,4R)-4-methyl-5-oxoheptan-3-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 11025129
Bis(2-trimethylsilylethyl) 2-(2-methylpropyl)-2-propan-2-ylpropanedioate
CID 17921907
1-O-ethyl 3-O-propyl 2-(4-trimethylsilyloxybutyl)propanedioate
CID 18335953
[2-(2-Ethylhexanoyloxymethyl)-2-methylpentyl] 2-ethylhexanoate
CID 20297995
3-(2'-Ethylcaproyloxy)-propyltriethoxysilane
CID 21431668
Diethyl 2,2-bis(3-triethoxysilylpropyl)propanedioate
CID 21908636

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-ethyl-2-(2-ethylbutanoyloxymethyl)hexanoate?
The IUPAC name of trimethylsilyl 2-ethyl-2-(2-ethylbutanoyloxymethyl)hexanoate (CID 91696533) is trimethylsilyl 2-ethyl-2-(2-ethylbutanoyloxymethyl)hexanoate.
What is the SMILES notation for trimethylsilyl 2-ethyl-2-(2-ethylbutanoyloxymethyl)hexanoate?
The canonical SMILES for trimethylsilyl 2-ethyl-2-(2-ethylbutanoyloxymethyl)hexanoate is CCCCC(CC)(COC(=O)C(CC)CC)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-ethyl-2-(2-ethylbutanoyloxymethyl)hexanoate?
The InChIKey is IRXMEJJUWXFHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-8-12-13-18(11-4,17(20)22-23(5,6)7)14-21-16(19)15(9-2)10-3/h15H,8-14H2,1-7H3.
What are the key properties of trimethylsilyl 2-ethyl-2-(2-ethylbutanoyloxymethyl)hexanoate?
trimethylsilyl 2-ethyl-2-(2-ethylbutanoyloxymethyl)hexanoate has a molecular weight of 344.57 g/mol, XLogP of 4.93, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-ethyl-2-(2-ethylbutanoyloxymethyl)hexanoate is sourced from PubChem (CID 91696533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).