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

C14H24O4 — CID 11807295

IUPACmethyl (2R,4R)-2-ethoxy-6-methyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-carboxylate
SMILESCCO[C@H]1C[C@@H](CC(C)C)C(C(=O)OC)=C(C)O1
InChIInChI=1S/C14H24O4/c1-6-17-12-8-11(7-9(2)3)13(10(4)18-12)14(15)16-5/h9,11-12H,6-8H2,1-5H3/t11-,12-/m1/s1
InChIKeyJYMUOKANOXQWHF-VXGBXAGGSA-N
MW256.34 g/mol
LogP2.88
Rot. Bonds5

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

methyl (2R,4R)-2-ethoxy-6-methyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-carboxylate (PubChem CID 11807295) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is methyl (2R,4R)-2-ethoxy-6-methyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-2-ethoxy-6-methyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-carboxylate
PubChem CID11807295
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namemethyl (2R,4R)-2-ethoxy-6-methyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-carboxylate
SMILESCCO[C@H]1C[C@@H](CC(C)C)C(C(=O)OC)=C(C)O1
InChIInChI=1S/C14H24O4/c1-6-17-12-8-11(7-9(2)3)13(10(4)18-12)14(15)16-5/h9,11-12H,6-8H2,1-5H3/t11-,12-/m1/s1
InChIKeyJYMUOKANOXQWHF-VXGBXAGGSA-N
XLogP2.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-2-ethoxy-6-methyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-carboxylate?
The IUPAC name of methyl (2R,4R)-2-ethoxy-6-methyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-carboxylate (CID 11807295) is methyl (2R,4R)-2-ethoxy-6-methyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-carboxylate.
What is the SMILES notation for methyl (2R,4R)-2-ethoxy-6-methyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-carboxylate?
The canonical SMILES for methyl (2R,4R)-2-ethoxy-6-methyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-carboxylate is CCO[C@H]1C[C@@H](CC(C)C)C(C(=O)OC)=C(C)O1.
What is the InChIKey of methyl (2R,4R)-2-ethoxy-6-methyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-carboxylate?
The InChIKey is JYMUOKANOXQWHF-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H24O4/c1-6-17-12-8-11(7-9(2)3)13(10(4)18-12)14(15)16-5/h9,11-12H,6-8H2,1-5H3/t11-,12-/m1/s1.
What are the key properties of methyl (2R,4R)-2-ethoxy-6-methyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-carboxylate?
methyl (2R,4R)-2-ethoxy-6-methyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-carboxylate has a molecular weight of 256.34 g/mol, XLogP of 2.88, 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-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-carboxylate is sourced from PubChem (CID 11807295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).