ethyl (2R)-5-(2,5-dimethylphenoxy)-2-ethylpentanoate

C17H26O3 — CID 101154521

IUPACethyl (2R)-5-(2,5-dimethylphenoxy)-2-ethylpentanoate
SMILESCCOC(=O)[C@H](CC)CCCOc1cc(C)ccc1C
InChIInChI=1S/C17H26O3/c1-5-15(17(18)19-6-2)8-7-11-20-16-12-13(3)9-10-14(16)4/h9-10,12,15H,5-8,11H2,1-4H3/t15-/m1/s1
InChIKeyHKNMFFPQCNTGSN-OAHLLOKOSA-N
MW278.39 g/mol
LogP4.05
Rot. Bonds8

About ethyl (2R)-5-(2,5-dimethylphenoxy)-2-ethylpentanoate

ethyl (2R)-5-(2,5-dimethylphenoxy)-2-ethylpentanoate (PubChem CID 101154521) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is ethyl (2R)-5-(2,5-dimethylphenoxy)-2-ethylpentanoate.

Molecular Properties

Compound Nameethyl (2R)-5-(2,5-dimethylphenoxy)-2-ethylpentanoate
PubChem CID101154521
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Nameethyl (2R)-5-(2,5-dimethylphenoxy)-2-ethylpentanoate
SMILESCCOC(=O)[C@H](CC)CCCOc1cc(C)ccc1C
InChIInChI=1S/C17H26O3/c1-5-15(17(18)19-6-2)8-7-11-20-16-12-13(3)9-10-14(16)4/h9-10,12,15H,5-8,11H2,1-4H3/t15-/m1/s1
InChIKeyHKNMFFPQCNTGSN-OAHLLOKOSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (2R)-5-(2,5-dimethylphenoxy)-2-ethylpentanoate 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 4-(2,5-dimethylphenoxy)-2-(propylamino)butanoate
CID 63040489
(2S)-5-(2,5-dimethylphenoxy)-2-methylpentanoic acid
CID 92849810
1,4-dimethyl-2-pentoxybenzene
CID 59184214
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
methyl 2-amino-4-(2,5-dimethylphenoxy)butanoate
CID 63040839
ethyl 3-(2,5-dimethylphenoxy)-2,2-dimethylpropanoate
CID 146594255
1,4-dimethyl-2-pentoxybenzene;ethane;ethyl 3,3-dimethyl-4-oxohexanoate
CID 142825941
7-(2,5-dimethylphenoxy)heptanoic acid
CID 39353078
3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180
2-(3,3-diethoxypropoxy)-1,4-dimethylbenzene
CID 11779994
N-butan-2-yl-4-(2,5-dimethylphenoxy)butan-1-amine;oxalic acid
CID 2935414
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide
CID 54783506

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-5-(2,5-dimethylphenoxy)-2-ethylpentanoate?
The IUPAC name of ethyl (2R)-5-(2,5-dimethylphenoxy)-2-ethylpentanoate (CID 101154521) is ethyl (2R)-5-(2,5-dimethylphenoxy)-2-ethylpentanoate.
What is the SMILES notation for ethyl (2R)-5-(2,5-dimethylphenoxy)-2-ethylpentanoate?
The canonical SMILES for ethyl (2R)-5-(2,5-dimethylphenoxy)-2-ethylpentanoate is CCOC(=O)[C@H](CC)CCCOc1cc(C)ccc1C.
What is the InChIKey of ethyl (2R)-5-(2,5-dimethylphenoxy)-2-ethylpentanoate?
The InChIKey is HKNMFFPQCNTGSN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26O3/c1-5-15(17(18)19-6-2)8-7-11-20-16-12-13(3)9-10-14(16)4/h9-10,12,15H,5-8,11H2,1-4H3/t15-/m1/s1.
What are the key properties of ethyl (2R)-5-(2,5-dimethylphenoxy)-2-ethylpentanoate?
ethyl (2R)-5-(2,5-dimethylphenoxy)-2-ethylpentanoate has a molecular weight of 278.39 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-5-(2,5-dimethylphenoxy)-2-ethylpentanoate is sourced from PubChem (CID 101154521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).