ethyl 2-(2,3-dimethylcyclohexyl)-2-hydroxypentanoate

C15H28O3 — CID 83052014

IUPACethyl 2-(2,3-dimethylcyclohexyl)-2-hydroxypentanoate
SMILESCCCC(O)(C(=O)OCC)C1CCCC(C)C1C
InChIInChI=1S/C15H28O3/c1-5-10-15(17,14(16)18-6-2)13-9-7-8-11(3)12(13)4/h11-13,17H,5-10H2,1-4H3
InChIKeyCELRPYATWTXYMP-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.15
Rot. Bonds5

About ethyl 2-(2,3-dimethylcyclohexyl)-2-hydroxypentanoate

ethyl 2-(2,3-dimethylcyclohexyl)-2-hydroxypentanoate (PubChem CID 83052014) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethyl 2-(2,3-dimethylcyclohexyl)-2-hydroxypentanoate.

Molecular Properties

Compound Nameethyl 2-(2,3-dimethylcyclohexyl)-2-hydroxypentanoate
PubChem CID83052014
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Nameethyl 2-(2,3-dimethylcyclohexyl)-2-hydroxypentanoate
SMILESCCCC(O)(C(=O)OCC)C1CCCC(C)C1C
InChIInChI=1S/C15H28O3/c1-5-10-15(17,14(16)18-6-2)13-9-7-8-11(3)12(13)4/h11-13,17H,5-10H2,1-4H3
InChIKeyCELRPYATWTXYMP-UHFFFAOYSA-N
XLogP3.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(2,3-dimethylcyclohexyl)-2-hydroxypentanoate 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 2-hydroxy-2-(2-methylcyclohexyl)butanoate
CID 79298252
ethyl 2-(4-ethylcycloheptyl)-2-hydroxypentanoate
CID 83050545
ethyl 2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate
CID 83051486
2-ethoxycarbonyl-2-(2-hydroxycyclopentyl)pentanoic acid
CID 103974207
ethyl 2-hydroxy-2-(3,3,5-trimethylcyclohexyl)pentanoate
CID 83051168
ethyl 2-hydroxy-2-(2-methoxycyclohexyl)butanoate
CID 106874759
ethyl 2-[(1S,2S)-2-methylcyclopentyl]propanoate
CID 10797593
ethyl 2-hydroxy-2-(3-methylcyclopentyl)butanoate
CID 79298134
ethyl 2-fluoro-2-methylpentanoate
CID 157367290
ethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate
CID 64667349
ethyl 2-methylcyclopentane-1-carboxylate
CID 10844634
2-cyclobutyl-2-hydroxypentanoic acid
CID 83051264

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dimethylcyclohexyl)-2-hydroxypentanoate?
The IUPAC name of ethyl 2-(2,3-dimethylcyclohexyl)-2-hydroxypentanoate (CID 83052014) is ethyl 2-(2,3-dimethylcyclohexyl)-2-hydroxypentanoate.
What is the SMILES notation for ethyl 2-(2,3-dimethylcyclohexyl)-2-hydroxypentanoate?
The canonical SMILES for ethyl 2-(2,3-dimethylcyclohexyl)-2-hydroxypentanoate is CCCC(O)(C(=O)OCC)C1CCCC(C)C1C.
What is the InChIKey of ethyl 2-(2,3-dimethylcyclohexyl)-2-hydroxypentanoate?
The InChIKey is CELRPYATWTXYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-5-10-15(17,14(16)18-6-2)13-9-7-8-11(3)12(13)4/h11-13,17H,5-10H2,1-4H3.
What are the key properties of ethyl 2-(2,3-dimethylcyclohexyl)-2-hydroxypentanoate?
ethyl 2-(2,3-dimethylcyclohexyl)-2-hydroxypentanoate has a molecular weight of 256.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dimethylcyclohexyl)-2-hydroxypentanoate is sourced from PubChem (CID 83052014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).