ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate

C11H20O3 — CID 97047914

IUPACethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
SMILESCCOC(=O)[C@](C)(O)C1CCCCC1
InChIInChI=1S/C11H20O3/c1-3-14-10(12)11(2,13)9-7-5-4-6-8-9/h9,13H,3-8H2,1-2H3/t11-/m1/s1
InChIKeyJPVOAFGJWIKZOM-LLVKDONJSA-N
MW200.28 g/mol
LogP1.88
Rot. Bonds3

About ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate

ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate (PubChem CID 97047914) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
PubChem CID97047914
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
SMILESCCOC(=O)[C@](C)(O)C1CCCCC1
InChIInChI=1S/C11H20O3/c1-3-14-10(12)11(2,13)9-7-5-4-6-8-9/h9,13H,3-8H2,1-2H3/t11-/m1/s1
InChIKeyJPVOAFGJWIKZOM-LLVKDONJSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate 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-[4-(trifluoromethyl)cyclohexyl]propanoate
CID 79308318
ethyl 2-hydroxy-2-(4-propan-2-ylcyclohexyl)propanoate
CID 79299326
ethyl 2-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoate
CID 12060177
2-cycloheptyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973885
ethyl 2-cyclohexyl-2-ethoxypropanoate
CID 141274224
diethyl 2-cyclohexyl-2-methoxypropanedioate
CID 67553135
2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973903
ethyl 2-(2-ethylcyclohexyl)-2-hydroxypropanoate
CID 79298576
2-cyclohexyl-2,2-difluoroacetamide;ethyl 2-cyclohexyl-2,2-difluoroacetate
CID 158104512
ethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate
CID 63323924
ethyl 2-cyclohexyl-2-(ethoxymethyl)butanoate
CID 139783133
methyl 2-cyclopropyl-2-hydroxypropanoate
CID 62212878

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate?
The IUPAC name of ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate (CID 97047914) is ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate.
What is the SMILES notation for ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate?
The canonical SMILES for ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate is CCOC(=O)[C@](C)(O)C1CCCCC1.
What is the InChIKey of ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate?
The InChIKey is JPVOAFGJWIKZOM-LLVKDONJSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-14-10(12)11(2,13)9-7-5-4-6-8-9/h9,13H,3-8H2,1-2H3/t11-/m1/s1.
What are the key properties of ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate?
ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate has a molecular weight of 200.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate is sourced from PubChem (CID 97047914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).