2-ethyl-4-triethylsilyloxyhexanoic acid

C14H30O3Si — CID 172830497

IUPAC2-ethyl-4-triethylsilyloxyhexanoic acid
SMILESCCC(CC(CC)C(=O)O)O[Si](CC)(CC)CC
InChIInChI=1S/C14H30O3Si/c1-6-12(14(15)16)11-13(7-2)17-18(8-3,9-4)10-5/h12-13H,6-11H2,1-5H3,(H,15,16)
InChIKeyVLISMPLSNBHEAZ-UHFFFAOYSA-N
MW274.48 g/mol
LogP4.29
Rot. Bonds10

About 2-ethyl-4-triethylsilyloxyhexanoic acid

2-ethyl-4-triethylsilyloxyhexanoic acid (PubChem CID 172830497) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is 2-ethyl-4-triethylsilyloxyhexanoic acid.

Molecular Properties

Compound Name2-ethyl-4-triethylsilyloxyhexanoic acid
PubChem CID172830497
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name2-ethyl-4-triethylsilyloxyhexanoic acid
SMILESCCC(CC(CC)C(=O)O)O[Si](CC)(CC)CC
InChIInChI=1S/C14H30O3Si/c1-6-12(14(15)16)11-13(7-2)17-18(8-3,9-4)10-5/h12-13H,6-11H2,1-5H3,(H,15,16)
InChIKeyVLISMPLSNBHEAZ-UHFFFAOYSA-N
XLogP4.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanoic acid
CID 134892483
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoic acid
CID 135023452
Pentanoic acid, 4-hydroxy-2-propyl, bis-TMS, # 1
CID 526140
2-Ethyl-3-hydroxyhexanoic acid, dimethyl(tert-butyl)silyl ester
CID 6421207
2-(3-Triethoxysilylpropyl)butanedioic acid
CID 11544318
2-[Dimethyl(2-methylpentan-2-yl)silyl]oxy-4-methylhexanoic acid
CID 19860354
2-(3-Trimethoxysilylpropyl)butanedioic acid
CID 19981225
2-(2-Methylpropyl)-3-triethoxysilylbutanedioic acid
CID 22134370
2-[3-[Diethoxy(methyl)silyl]propyl]butanedioic acid
CID 23023196
2-(1-Triethoxysilylpropyl)butanedioic acid
CID 23043479
2-Propyl-3-triethoxysilylbutanedioic acid
CID 23160205
2-[Diethoxy(methyl)silyl]-3-propylbutanedioic acid
CID 23295329

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-triethylsilyloxyhexanoic acid?
The IUPAC name of 2-ethyl-4-triethylsilyloxyhexanoic acid (CID 172830497) is 2-ethyl-4-triethylsilyloxyhexanoic acid.
What is the SMILES notation for 2-ethyl-4-triethylsilyloxyhexanoic acid?
The canonical SMILES for 2-ethyl-4-triethylsilyloxyhexanoic acid is CCC(CC(CC)C(=O)O)O[Si](CC)(CC)CC.
What is the InChIKey of 2-ethyl-4-triethylsilyloxyhexanoic acid?
The InChIKey is VLISMPLSNBHEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-6-12(14(15)16)11-13(7-2)17-18(8-3,9-4)10-5/h12-13H,6-11H2,1-5H3,(H,15,16).
What are the key properties of 2-ethyl-4-triethylsilyloxyhexanoic acid?
2-ethyl-4-triethylsilyloxyhexanoic acid has a molecular weight of 274.48 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-triethylsilyloxyhexanoic acid is sourced from PubChem (CID 172830497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).