4-ethyl-2,2-dimethyl-4-trimethylsilylhexanoic acid

C13H28O2Si — CID 123517420

IUPAC4-ethyl-2,2-dimethyl-4-trimethylsilylhexanoic acid
SMILESCCC(CC)(CC(C)(C)C(=O)O)[Si](C)(C)C
InChIInChI=1S/C13H28O2Si/c1-8-13(9-2,16(5,6)7)10-12(3,4)11(14)15/h8-10H2,1-7H3,(H,14,15)
InChIKeyWKQRQZHMCUYAOG-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.39
Rot. Bonds6

About 4-ethyl-2,2-dimethyl-4-trimethylsilylhexanoic acid

4-ethyl-2,2-dimethyl-4-trimethylsilylhexanoic acid (PubChem CID 123517420) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is 4-ethyl-2,2-dimethyl-4-trimethylsilylhexanoic acid.

Molecular Properties

Compound Name4-ethyl-2,2-dimethyl-4-trimethylsilylhexanoic acid
PubChem CID123517420
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name4-ethyl-2,2-dimethyl-4-trimethylsilylhexanoic acid
SMILESCCC(CC)(CC(C)(C)C(=O)O)[Si](C)(C)C
InChIInChI=1S/C13H28O2Si/c1-8-13(9-2,16(5,6)7)10-12(3,4)11(14)15/h8-10H2,1-7H3,(H,14,15)
InChIKeyWKQRQZHMCUYAOG-UHFFFAOYSA-N
XLogP4.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethylhexanoic Acid
CID 163217
2-Ethyl-2-methylhexanoic acid
CID 36646
2,2-Diethylhexanoic acid
CID 219314
3,3-dimethylhexanoic Acid
CID 11367061
3,3,5,5-Tetramethylhexanoic acid
CID 93674
4,4-Dimethylhexanoic acid
CID 12563914
2,2,4-Trimethylhexanoic acid
CID 15564208
Neodecanoic acid, vanadium salt (1:?)
CID 108943
Hexanoic acid,2,2,3,5-tetramethyl-
CID 19897939
3,3-Diethylhexanoic acid
CID 20359028
2,2,4,4-Tetramethylhexanoic acid
CID 19897952
4,4-Diethylhexanoic acid
CID 20539916

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2-dimethyl-4-trimethylsilylhexanoic acid?
The IUPAC name of 4-ethyl-2,2-dimethyl-4-trimethylsilylhexanoic acid (CID 123517420) is 4-ethyl-2,2-dimethyl-4-trimethylsilylhexanoic acid.
What is the SMILES notation for 4-ethyl-2,2-dimethyl-4-trimethylsilylhexanoic acid?
The canonical SMILES for 4-ethyl-2,2-dimethyl-4-trimethylsilylhexanoic acid is CCC(CC)(CC(C)(C)C(=O)O)[Si](C)(C)C.
What is the InChIKey of 4-ethyl-2,2-dimethyl-4-trimethylsilylhexanoic acid?
The InChIKey is WKQRQZHMCUYAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-8-13(9-2,16(5,6)7)10-12(3,4)11(14)15/h8-10H2,1-7H3,(H,14,15).
What are the key properties of 4-ethyl-2,2-dimethyl-4-trimethylsilylhexanoic acid?
4-ethyl-2,2-dimethyl-4-trimethylsilylhexanoic acid has a molecular weight of 244.45 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-dimethyl-4-trimethylsilylhexanoic acid is sourced from PubChem (CID 123517420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).