ethyl (3R)-3-cyclohexyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate

C17H24O6 — CID 95792248

IUPACethyl (3R)-3-cyclohexyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate
SMILESCCOC(=O)C[C@@H](c1oc(CO)cc(=O)c1O)C1CCCCC1
InChIInChI=1S/C17H24O6/c1-2-22-15(20)9-13(11-6-4-3-5-7-11)17-16(21)14(19)8-12(10-18)23-17/h8,11,13,18,21H,2-7,9-10H2,1H3/t13-/m1/s1
InChIKeyHMRYFEKMILSXHP-CYBMUJFWSA-N
MW324.37 g/mol
LogP2.45
Rot. Bonds6

About ethyl (3R)-3-cyclohexyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate

ethyl (3R)-3-cyclohexyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate (PubChem CID 95792248) has the molecular formula C17H24O6 and a molecular weight of 324.37 g/mol. Its IUPAC name is ethyl (3R)-3-cyclohexyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-cyclohexyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate
PubChem CID95792248
Molecular FormulaC17H24O6
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Nameethyl (3R)-3-cyclohexyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate
SMILESCCOC(=O)C[C@@H](c1oc(CO)cc(=O)c1O)C1CCCCC1
InChIInChI=1S/C17H24O6/c1-2-22-15(20)9-13(11-6-4-3-5-7-11)17-16(21)14(19)8-12(10-18)23-17/h8,11,13,18,21H,2-7,9-10H2,1H3/t13-/m1/s1
InChIKeyHMRYFEKMILSXHP-CYBMUJFWSA-N
XLogP2.45
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl (3R)-3-cyclohexyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate 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 ethyl (3R)-3-cyclohexyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate?
The IUPAC name of ethyl (3R)-3-cyclohexyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate (CID 95792248) is ethyl (3R)-3-cyclohexyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate.
What is the SMILES notation for ethyl (3R)-3-cyclohexyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate?
The canonical SMILES for ethyl (3R)-3-cyclohexyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate is CCOC(=O)C[C@@H](c1oc(CO)cc(=O)c1O)C1CCCCC1.
What is the InChIKey of ethyl (3R)-3-cyclohexyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate?
The InChIKey is HMRYFEKMILSXHP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24O6/c1-2-22-15(20)9-13(11-6-4-3-5-7-11)17-16(21)14(19)8-12(10-18)23-17/h8,11,13,18,21H,2-7,9-10H2,1H3/t13-/m1/s1.
What are the key properties of ethyl (3R)-3-cyclohexyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate?
ethyl (3R)-3-cyclohexyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate has a molecular weight of 324.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-cyclohexyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate is sourced from PubChem (CID 95792248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).