2-ethyl-2,4-dimethyl-5-(1-methylcyclohexyl)oxy-5-oxopentanoic acid

C16H28O4 — CID 20679940

IUPAC2-ethyl-2,4-dimethyl-5-(1-methylcyclohexyl)oxy-5-oxopentanoic acid
SMILESCCC(C)(CC(C)C(=O)OC1(C)CCCCC1)C(=O)O
InChIInChI=1S/C16H28O4/c1-5-15(3,14(18)19)11-12(2)13(17)20-16(4)9-7-6-8-10-16/h12H,5-11H2,1-4H3,(H,18,19)
InChIKeyYNWYZIFTOWLKJY-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.78
Rot. Bonds6

About 2-ethyl-2,4-dimethyl-5-(1-methylcyclohexyl)oxy-5-oxopentanoic acid

2-ethyl-2,4-dimethyl-5-(1-methylcyclohexyl)oxy-5-oxopentanoic acid (PubChem CID 20679940) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-ethyl-2,4-dimethyl-5-(1-methylcyclohexyl)oxy-5-oxopentanoic acid.

Molecular Properties

Compound Name2-ethyl-2,4-dimethyl-5-(1-methylcyclohexyl)oxy-5-oxopentanoic acid
PubChem CID20679940
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name2-ethyl-2,4-dimethyl-5-(1-methylcyclohexyl)oxy-5-oxopentanoic acid
SMILESCCC(C)(CC(C)C(=O)OC1(C)CCCCC1)C(=O)O
InChIInChI=1S/C16H28O4/c1-5-15(3,14(18)19)11-12(2)13(17)20-16(4)9-7-6-8-10-16/h12H,5-11H2,1-4H3,(H,18,19)
InChIKeyYNWYZIFTOWLKJY-UHFFFAOYSA-N
XLogP3.78
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2,4-dimethyl-5-(1-methylcyclohexyl)oxy-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,4-dimethyl-5-(1-methylcyclohexyl)oxy-5-oxopentanoic acid?
The IUPAC name of 2-ethyl-2,4-dimethyl-5-(1-methylcyclohexyl)oxy-5-oxopentanoic acid (CID 20679940) is 2-ethyl-2,4-dimethyl-5-(1-methylcyclohexyl)oxy-5-oxopentanoic acid.
What is the SMILES notation for 2-ethyl-2,4-dimethyl-5-(1-methylcyclohexyl)oxy-5-oxopentanoic acid?
The canonical SMILES for 2-ethyl-2,4-dimethyl-5-(1-methylcyclohexyl)oxy-5-oxopentanoic acid is CCC(C)(CC(C)C(=O)OC1(C)CCCCC1)C(=O)O.
What is the InChIKey of 2-ethyl-2,4-dimethyl-5-(1-methylcyclohexyl)oxy-5-oxopentanoic acid?
The InChIKey is YNWYZIFTOWLKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-5-15(3,14(18)19)11-12(2)13(17)20-16(4)9-7-6-8-10-16/h12H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 2-ethyl-2,4-dimethyl-5-(1-methylcyclohexyl)oxy-5-oxopentanoic acid?
2-ethyl-2,4-dimethyl-5-(1-methylcyclohexyl)oxy-5-oxopentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,4-dimethyl-5-(1-methylcyclohexyl)oxy-5-oxopentanoic acid is sourced from PubChem (CID 20679940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).