methyl 3-cyclohexyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]propanoate

C17H24O6 — CID 71700730

IUPACmethyl 3-cyclohexyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]propanoate
SMILESCOCc1cc(=O)c(O)c(C(CC(=O)OC)C2CCCCC2)o1
InChIInChI=1S/C17H24O6/c1-21-10-12-8-14(18)16(20)17(23-12)13(9-15(19)22-2)11-6-4-3-5-7-11/h8,11,13,20H,3-7,9-10H2,1-2H3
InChIKeyGMZYGBCELVMTQT-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.72
Rot. Bonds6

About methyl 3-cyclohexyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]propanoate

methyl 3-cyclohexyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]propanoate (PubChem CID 71700730) has the molecular formula C17H24O6 and a molecular weight of 324.37 g/mol. Its IUPAC name is methyl 3-cyclohexyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-cyclohexyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]propanoate
PubChem CID71700730
Molecular FormulaC17H24O6
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Namemethyl 3-cyclohexyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]propanoate
SMILESCOCc1cc(=O)c(O)c(C(CC(=O)OC)C2CCCCC2)o1
InChIInChI=1S/C17H24O6/c1-21-10-12-8-14(18)16(20)17(23-12)13(9-15(19)22-2)11-6-4-3-5-7-11/h8,11,13,20H,3-7,9-10H2,1-2H3
InChIKeyGMZYGBCELVMTQT-UHFFFAOYSA-N
XLogP2.72
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-cyclohexyl-3-[3-hydroxy-6-(methoxymethyl)-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 methyl 3-cyclohexyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]propanoate?
The IUPAC name of methyl 3-cyclohexyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]propanoate (CID 71700730) is methyl 3-cyclohexyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]propanoate.
What is the SMILES notation for methyl 3-cyclohexyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]propanoate?
The canonical SMILES for methyl 3-cyclohexyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]propanoate is COCc1cc(=O)c(O)c(C(CC(=O)OC)C2CCCCC2)o1.
What is the InChIKey of methyl 3-cyclohexyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]propanoate?
The InChIKey is GMZYGBCELVMTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O6/c1-21-10-12-8-14(18)16(20)17(23-12)13(9-15(19)22-2)11-6-4-3-5-7-11/h8,11,13,20H,3-7,9-10H2,1-2H3.
What are the key properties of methyl 3-cyclohexyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]propanoate?
methyl 3-cyclohexyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]propanoate has a molecular weight of 324.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]propanoate is sourced from PubChem (CID 71700730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).