6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoic acid

C14H28O5Si — CID 175579111

IUPAC6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoic acid
SMILESC[Si](C)(C)CCOCOCCC(=O)CCCCC(=O)O
InChIInChI=1S/C14H28O5Si/c1-20(2,3)11-10-19-12-18-9-8-13(15)6-4-5-7-14(16)17/h4-12H2,1-3H3,(H,16,17)
InChIKeyYKFOGSHPYTYPOG-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.92
Rot. Bonds13

About 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoic acid

6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoic acid (PubChem CID 175579111) has the molecular formula C14H28O5Si and a molecular weight of 304.46 g/mol. Its IUPAC name is 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoic acid.

Molecular Properties

Compound Name6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoic acid
PubChem CID175579111
Molecular FormulaC14H28O5Si
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoic acid
SMILESC[Si](C)(C)CCOCOCCC(=O)CCCCC(=O)O
InChIInChI=1S/C14H28O5Si/c1-20(2,3)11-10-19-12-18-9-8-13(15)6-4-5-7-14(16)17/h4-12H2,1-3H3,(H,16,17)
InChIKeyYKFOGSHPYTYPOG-UHFFFAOYSA-N
XLogP2.92
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

8-ethoxy-6-oxooctanoic acid
CID 154310113
3-(3-hydroxypropoxymethoxy)propanoic acid
CID 58271912
24-(4-methoxybutoxy)-20-oxotetracosanoic acid
CID 58527676
4-[[[[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butanoic acid
CID 102394248
15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid
CID 168962220
(2R)-2-(2-trimethylsilylethoxymethoxy)propanoic acid
CID 10775311
6-oxononanoic acid
CID 5282981
5,8,11,14-tetraoxooctadecanedioic acid
CID 57306200
ethoxyethane;trimethyl-[2-(2-trimethylsilylethoxymethoxymethoxy)ethyl]silane
CID 88546409
7-oxopentadecanoic acid
CID 14454467
11-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]undecanoic acid
CID 102202619
21-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-18-oxohenicosanoic acid
CID 58249220

Frequently Asked Questions

What is the IUPAC name of 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoic acid?
The IUPAC name of 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoic acid (CID 175579111) is 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoic acid.
What is the SMILES notation for 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoic acid?
The canonical SMILES for 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoic acid is C[Si](C)(C)CCOCOCCC(=O)CCCCC(=O)O.
What is the InChIKey of 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoic acid?
The InChIKey is YKFOGSHPYTYPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O5Si/c1-20(2,3)11-10-19-12-18-9-8-13(15)6-4-5-7-14(16)17/h4-12H2,1-3H3,(H,16,17).
What are the key properties of 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoic acid?
6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoic acid has a molecular weight of 304.46 g/mol, XLogP of 2.92, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoic acid is sourced from PubChem (CID 175579111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).