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

C12H20O4 — CID 102506603

IUPACmethyl (2R,4S)-2-ethoxy-4-ethyl-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
SMILESCCO[C@H]1C[C@H](CC)C(C(=O)OC)=C(C)O1
InChIInChI=1S/C12H20O4/c1-5-9-7-10(15-6-2)16-8(3)11(9)12(13)14-4/h9-10H,5-7H2,1-4H3/t9-,10+/m0/s1
InChIKeyUCKZDBWGTCDENZ-VHSXEESVSA-N
MW228.29 g/mol
LogP2.24
Rot. Bonds4

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

methyl (2R,4S)-2-ethoxy-4-ethyl-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate (PubChem CID 102506603) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl (2R,4S)-2-ethoxy-4-ethyl-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S)-2-ethoxy-4-ethyl-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
PubChem CID102506603
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Namemethyl (2R,4S)-2-ethoxy-4-ethyl-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
SMILESCCO[C@H]1C[C@H](CC)C(C(=O)OC)=C(C)O1
InChIInChI=1S/C12H20O4/c1-5-9-7-10(15-6-2)16-8(3)11(9)12(13)14-4/h9-10H,5-7H2,1-4H3/t9-,10+/m0/s1
InChIKeyUCKZDBWGTCDENZ-VHSXEESVSA-N
XLogP2.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-dimethoxyoxan-4-yl)-2H-furan-5-one
CID 162885463
Methyl 5-methyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-carboxylate
CID 342660
ethyl 4-ethoxy-2-(2-methylpropoxy)-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylate
CID 156865297
ethyl 6-(difluoromethyl)-4-ethoxy-2-(2-methylpropoxy)-3,4-dihydro-2H-pyran-5-carboxylate
CID 156865303
ethyl 2-hydroxy-4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylate
CID 163269519
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 (1R,5R,6Z)-6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylate
CID 44241606
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-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506604

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-2-ethoxy-4-ethyl-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate?
The IUPAC name of methyl (2R,4S)-2-ethoxy-4-ethyl-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate (CID 102506603) is methyl (2R,4S)-2-ethoxy-4-ethyl-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate.
What is the SMILES notation for methyl (2R,4S)-2-ethoxy-4-ethyl-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate?
The canonical SMILES for methyl (2R,4S)-2-ethoxy-4-ethyl-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate is CCO[C@H]1C[C@H](CC)C(C(=O)OC)=C(C)O1.
What is the InChIKey of methyl (2R,4S)-2-ethoxy-4-ethyl-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate?
The InChIKey is UCKZDBWGTCDENZ-VHSXEESVSA-N. The full InChI is InChI=1S/C12H20O4/c1-5-9-7-10(15-6-2)16-8(3)11(9)12(13)14-4/h9-10H,5-7H2,1-4H3/t9-,10+/m0/s1.
What are the key properties of methyl (2R,4S)-2-ethoxy-4-ethyl-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate?
methyl (2R,4S)-2-ethoxy-4-ethyl-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 2.24, 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-4-ethyl-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate is sourced from PubChem (CID 102506603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).