ethyl 4-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoate

C16H28O4 — CID 103484900

IUPACethyl 4-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoate
SMILESCCOC(=O)CCC(=O)COC1CC(C)CC(C)(C)C1
InChIInChI=1S/C16H28O4/c1-5-19-15(18)7-6-13(17)11-20-14-8-12(2)9-16(3,4)10-14/h12,14H,5-11H2,1-4H3
InChIKeyOWQNTVMIXUEJCW-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.13
Rot. Bonds7

About ethyl 4-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoate

ethyl 4-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoate (PubChem CID 103484900) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 4-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoate.

Molecular Properties

Compound Nameethyl 4-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoate
PubChem CID103484900
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Nameethyl 4-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoate
SMILESCCOC(=O)CCC(=O)COC1CC(C)CC(C)(C)C1
InChIInChI=1S/C16H28O4/c1-5-19-15(18)7-6-13(17)11-20-14-8-12(2)9-16(3,4)10-14/h12,14H,5-11H2,1-4H3
InChIKeyOWQNTVMIXUEJCW-UHFFFAOYSA-N
XLogP3.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 3-oxo-4-(3,3,5,5-tetramethylcyclohexyl)oxybutanoate
CID 69186825
(3,3,5-trimethylcyclohexyl) 4-aminobutanoate
CID 61304471
ethyl 2-[4-[(2S)-2-hydroxy-3-[(1R,5S)-3,3,5-trimethylcyclohexyl]oxypropyl]morpholin-4-ium-4-yl]acetate
CID 26857231
3-[2-(chloromethyl)prop-2-enoxy]-1,1,5-trimethylcyclohexane
CID 103066019
ethyl 3-iodo-4-(3,3,5-trimethylcyclohexyl)oxycyclopentane-1-carboxylate
CID 114773343
1-(5-methylthiophen-2-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanone
CID 43800262
2-(3,3,5-trimethylcyclohexyl)oxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 43800299
ethyl 4-[(2S)-2-hydroxy-3-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxypropyl]piperazine-1-carboxylate
CID 7058801
[(1S,5S)-3,3,5-trimethylcyclohexyl] (2S)-2-hydroxypropanoate
CID 76962172
ethyl 2-(2,2,4-trimethylcyclopentyl)acetate
CID 54404876
2-[2-(3,3,5-trimethylcyclohexyl)oxyethoxy]propanoic acid
CID 114266560
(3,3,5-trimethylcyclohexyl) (2S)-2-amino-3-hydroxypropanoate
CID 61303672

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoate?
The IUPAC name of ethyl 4-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoate (CID 103484900) is ethyl 4-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoate.
What is the SMILES notation for ethyl 4-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoate?
The canonical SMILES for ethyl 4-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoate is CCOC(=O)CCC(=O)COC1CC(C)CC(C)(C)C1.
What is the InChIKey of ethyl 4-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoate?
The InChIKey is OWQNTVMIXUEJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-5-19-15(18)7-6-13(17)11-20-14-8-12(2)9-16(3,4)10-14/h12,14H,5-11H2,1-4H3.
What are the key properties of ethyl 4-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoate?
ethyl 4-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoate has a molecular weight of 284.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoate is sourced from PubChem (CID 103484900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).