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

C13H22O4 — CID 102506604

IUPACmethyl (2R,4S)-2-ethoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-5-carboxylate
SMILESCCO[C@H]1C[C@@H](C(C)C)C(C(=O)OC)=C(C)O1
InChIInChI=1S/C13H22O4/c1-6-16-11-7-10(8(2)3)12(9(4)17-11)13(14)15-5/h8,10-11H,6-7H2,1-5H3/t10-,11+/m0/s1
InChIKeyPWLWJJHTQGUARY-WDEREUQCSA-N
MW242.31 g/mol
LogP2.49
Rot. Bonds4

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

methyl (2R,4S)-2-ethoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-5-carboxylate (PubChem CID 102506604) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is methyl (2R,4S)-2-ethoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-5-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S)-2-ethoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-5-carboxylate
PubChem CID102506604
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Namemethyl (2R,4S)-2-ethoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-5-carboxylate
SMILESCCO[C@H]1C[C@@H](C(C)C)C(C(=O)OC)=C(C)O1
InChIInChI=1S/C13H22O4/c1-6-16-11-7-10(8(2)3)12(9(4)17-11)13(14)15-5/h8,10-11H,6-7H2,1-5H3/t10-,11+/m0/s1
InChIKeyPWLWJJHTQGUARY-WDEREUQCSA-N
XLogP2.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R,4S)-2-ethoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-5-carboxylate with MolForge

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Related Compounds

Ethyl 4,6-dimethyl-2-oxo-3,4-dihydro-2h-pyran-5-carboxylate
CID 223384
diethyl 2,4,6-trimethyl-4H-pyran-3,5-dicarboxylate
CID 19086098
methyl (2R,4R)-2-ethoxy-6-methyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-carboxylate
CID 11807295
Methyl 6-tert-butyl-2-ethoxy-4-oxo-2,3-dihydropyran-5-carboxylate
CID 101117299
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,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
5-[2-(1,3-Dioxolan-2-yl)ethyl]-2,2,6-trimethyl-1,3-dioxin-4-one
CID 10705326
ethyl 5-(ethylperoxymethyl)-2,4,6-trimethyl-4H-pyran-3-carboxylate
CID 20648278

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-2-ethoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-5-carboxylate?
The IUPAC name of methyl (2R,4S)-2-ethoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-5-carboxylate (CID 102506604) is methyl (2R,4S)-2-ethoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-5-carboxylate.
What is the SMILES notation for methyl (2R,4S)-2-ethoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-5-carboxylate?
The canonical SMILES for methyl (2R,4S)-2-ethoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-5-carboxylate is CCO[C@H]1C[C@@H](C(C)C)C(C(=O)OC)=C(C)O1.
What is the InChIKey of methyl (2R,4S)-2-ethoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-5-carboxylate?
The InChIKey is PWLWJJHTQGUARY-WDEREUQCSA-N. The full InChI is InChI=1S/C13H22O4/c1-6-16-11-7-10(8(2)3)12(9(4)17-11)13(14)15-5/h8,10-11H,6-7H2,1-5H3/t10-,11+/m0/s1.
What are the key properties of methyl (2R,4S)-2-ethoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-5-carboxylate?
methyl (2R,4S)-2-ethoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-5-carboxylate has a molecular weight of 242.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-2-ethoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-5-carboxylate is sourced from PubChem (CID 102506604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).