methyl (2R,4R)-2-ethoxy-6-methyl-4-propyl-3,4-dihydro-2H-pyran-5-carboxylate

C13H22O4 — CID 102506608

IUPACmethyl (2R,4R)-2-ethoxy-6-methyl-4-propyl-3,4-dihydro-2H-pyran-5-carboxylate
SMILESCCC[C@@H]1C[C@H](OCC)OC(C)=C1C(=O)OC
InChIInChI=1S/C13H22O4/c1-5-7-10-8-11(16-6-2)17-9(3)12(10)13(14)15-4/h10-11H,5-8H2,1-4H3/t10-,11-/m1/s1
InChIKeyBDJLWPZWJRNWIE-GHMZBOCLSA-N
MW242.31 g/mol
LogP2.63
Rot. Bonds5

About methyl (2R,4R)-2-ethoxy-6-methyl-4-propyl-3,4-dihydro-2H-pyran-5-carboxylate

methyl (2R,4R)-2-ethoxy-6-methyl-4-propyl-3,4-dihydro-2H-pyran-5-carboxylate (PubChem CID 102506608) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is methyl (2R,4R)-2-ethoxy-6-methyl-4-propyl-3,4-dihydro-2H-pyran-5-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-2-ethoxy-6-methyl-4-propyl-3,4-dihydro-2H-pyran-5-carboxylate
PubChem CID102506608
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Namemethyl (2R,4R)-2-ethoxy-6-methyl-4-propyl-3,4-dihydro-2H-pyran-5-carboxylate
SMILESCCC[C@@H]1C[C@H](OCC)OC(C)=C1C(=O)OC
InChIInChI=1S/C13H22O4/c1-5-7-10-8-11(16-6-2)17-9(3)12(10)13(14)15-4/h10-11H,5-8H2,1-4H3/t10-,11-/m1/s1
InChIKeyBDJLWPZWJRNWIE-GHMZBOCLSA-N
XLogP2.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R,4R)-2-ethoxy-6-methyl-4-propyl-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

Related Compounds

methyl 2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate
CID 11159928
diethyl 2,4,6-trimethyl-4H-pyran-3,5-dicarboxylate
CID 19086098
methyl (1S,4aS,7aS)-1-acetyloxy-7-(acetyloxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
CID 59131279
methyl (2R,4R)-2-ethoxy-6-methyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-carboxylate
CID 11807295
methyl (2R,4R)-2-ethoxy-4-ethyl-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506602
methyl (2R,4S)-2-ethoxy-4-ethyl-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506603
methyl (2R,4S)-2-ethoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506604
methyl (2R,4R)-2-ethoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506605
methyl (2R,4S)-2-ethoxy-6-methyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506610
methyl (2R,4R)-2-butoxy-6-methyl-4-pentyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506617
methyl (2R,4S)-2-butoxy-6-methyl-4-pentyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506618
ethyl (2Z)-2-[1-(methoxymethoxy)ethylidene]hexanoate
CID 134932836

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-2-ethoxy-6-methyl-4-propyl-3,4-dihydro-2H-pyran-5-carboxylate?
The IUPAC name of methyl (2R,4R)-2-ethoxy-6-methyl-4-propyl-3,4-dihydro-2H-pyran-5-carboxylate (CID 102506608) is methyl (2R,4R)-2-ethoxy-6-methyl-4-propyl-3,4-dihydro-2H-pyran-5-carboxylate.
What is the SMILES notation for methyl (2R,4R)-2-ethoxy-6-methyl-4-propyl-3,4-dihydro-2H-pyran-5-carboxylate?
The canonical SMILES for methyl (2R,4R)-2-ethoxy-6-methyl-4-propyl-3,4-dihydro-2H-pyran-5-carboxylate is CCC[C@@H]1C[C@H](OCC)OC(C)=C1C(=O)OC.
What is the InChIKey of methyl (2R,4R)-2-ethoxy-6-methyl-4-propyl-3,4-dihydro-2H-pyran-5-carboxylate?
The InChIKey is BDJLWPZWJRNWIE-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H22O4/c1-5-7-10-8-11(16-6-2)17-9(3)12(10)13(14)15-4/h10-11H,5-8H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of methyl (2R,4R)-2-ethoxy-6-methyl-4-propyl-3,4-dihydro-2H-pyran-5-carboxylate?
methyl (2R,4R)-2-ethoxy-6-methyl-4-propyl-3,4-dihydro-2H-pyran-5-carboxylate has a molecular weight of 242.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R)-2-ethoxy-6-methyl-4-propyl-3,4-dihydro-2H-pyran-5-carboxylate is sourced from PubChem (CID 102506608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).