dimethyl 3-ethyl-2-hydroxy-3,4-dihydro-2H-pyran-5,6-dicarboxylate

C11H16O6 — CID 67931526

IUPACdimethyl 3-ethyl-2-hydroxy-3,4-dihydro-2H-pyran-5,6-dicarboxylate
SMILESCCC1CC(C(=O)OC)=C(C(=O)OC)OC1O
InChIInChI=1S/C11H16O6/c1-4-6-5-7(10(13)15-2)8(11(14)16-3)17-9(6)12/h6,9,12H,4-5H2,1-3H3
InChIKeyXIUMCQQNQLPJPJ-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.35
Rot. Bonds3

About dimethyl 3-ethyl-2-hydroxy-3,4-dihydro-2H-pyran-5,6-dicarboxylate

dimethyl 3-ethyl-2-hydroxy-3,4-dihydro-2H-pyran-5,6-dicarboxylate (PubChem CID 67931526) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is dimethyl 3-ethyl-2-hydroxy-3,4-dihydro-2H-pyran-5,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-ethyl-2-hydroxy-3,4-dihydro-2H-pyran-5,6-dicarboxylate
PubChem CID67931526
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Namedimethyl 3-ethyl-2-hydroxy-3,4-dihydro-2H-pyran-5,6-dicarboxylate
SMILESCCC1CC(C(=O)OC)=C(C(=O)OC)OC1O
InChIInChI=1S/C11H16O6/c1-4-6-5-7(10(13)15-2)8(11(14)16-3)17-9(6)12/h6,9,12H,4-5H2,1-3H3
InChIKeyXIUMCQQNQLPJPJ-UHFFFAOYSA-N
XLogP0.35
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-ethyl-2-hydroxy-3,4-dihydro-2H-pyran-5,6-dicarboxylate?
The IUPAC name of dimethyl 3-ethyl-2-hydroxy-3,4-dihydro-2H-pyran-5,6-dicarboxylate (CID 67931526) is dimethyl 3-ethyl-2-hydroxy-3,4-dihydro-2H-pyran-5,6-dicarboxylate.
What is the SMILES notation for dimethyl 3-ethyl-2-hydroxy-3,4-dihydro-2H-pyran-5,6-dicarboxylate?
The canonical SMILES for dimethyl 3-ethyl-2-hydroxy-3,4-dihydro-2H-pyran-5,6-dicarboxylate is CCC1CC(C(=O)OC)=C(C(=O)OC)OC1O.
What is the InChIKey of dimethyl 3-ethyl-2-hydroxy-3,4-dihydro-2H-pyran-5,6-dicarboxylate?
The InChIKey is XIUMCQQNQLPJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O6/c1-4-6-5-7(10(13)15-2)8(11(14)16-3)17-9(6)12/h6,9,12H,4-5H2,1-3H3.
What are the key properties of dimethyl 3-ethyl-2-hydroxy-3,4-dihydro-2H-pyran-5,6-dicarboxylate?
dimethyl 3-ethyl-2-hydroxy-3,4-dihydro-2H-pyran-5,6-dicarboxylate has a molecular weight of 244.24 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-ethyl-2-hydroxy-3,4-dihydro-2H-pyran-5,6-dicarboxylate is sourced from PubChem (CID 67931526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).