ethyl 3-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate

C9H14O4 — CID 11367433

IUPACethyl 3-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
SMILESCCOC(=O)C1=C(C)OCC(O)C1
InChIInChI=1S/C9H14O4/c1-3-12-9(11)8-4-7(10)5-13-6(8)2/h7,10H,3-5H2,1-2H3
InChIKeyDNRJXLUQEQFNMF-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.60
Rot. Bonds2

About ethyl 3-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate

ethyl 3-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate (PubChem CID 11367433) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is ethyl 3-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
PubChem CID11367433
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Nameethyl 3-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
SMILESCCOC(=O)C1=C(C)OCC(O)C1
InChIInChI=1S/C9H14O4/c1-3-12-9(11)8-4-7(10)5-13-6(8)2/h7,10H,3-5H2,1-2H3
InChIKeyDNRJXLUQEQFNMF-UHFFFAOYSA-N
XLogP0.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate 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 3-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate?
The IUPAC name of ethyl 3-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate (CID 11367433) is ethyl 3-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate is CCOC(=O)C1=C(C)OCC(O)C1.
What is the InChIKey of ethyl 3-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate?
The InChIKey is DNRJXLUQEQFNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-3-12-9(11)8-4-7(10)5-13-6(8)2/h7,10H,3-5H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate?
ethyl 3-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate has a molecular weight of 186.21 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate is sourced from PubChem (CID 11367433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).