ethyl 6-oxo-3-propylpyran-2-carboxylate

C11H14O4 — CID 164685051

IUPACethyl 6-oxo-3-propylpyran-2-carboxylate
SMILESCCCc1ccc(=O)oc1C(=O)OCC
InChIInChI=1S/C11H14O4/c1-3-5-8-6-7-9(12)15-10(8)11(13)14-4-2/h6-7H,3-5H2,1-2H3
InChIKeyYKWXXEVSBZJGHT-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.77
Rot. Bonds4

About ethyl 6-oxo-3-propylpyran-2-carboxylate

ethyl 6-oxo-3-propylpyran-2-carboxylate (PubChem CID 164685051) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 6-oxo-3-propylpyran-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-3-propylpyran-2-carboxylate
PubChem CID164685051
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Nameethyl 6-oxo-3-propylpyran-2-carboxylate
SMILESCCCc1ccc(=O)oc1C(=O)OCC
InChIInChI=1S/C11H14O4/c1-3-5-8-6-7-9(12)15-10(8)11(13)14-4-2/h6-7H,3-5H2,1-2H3
InChIKeyYKWXXEVSBZJGHT-UHFFFAOYSA-N
XLogP1.77
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 6-oxopyran-2,3-dicarboxylate
CID 102229708
5,6-dipropylpyran-2-one
CID 15445692
carbonic acid;ethyl 2-propylbenzoate
CID 174721035
ethyl 2-amino-3-propylbenzoate
CID 60835647
ethyl 4-hydroxy-2-propylbenzoate
CID 66937592
diethyl 3-(3-phenylpropyl)furan-2,5-dicarboxylate
CID 141345102
2,5-bis(ethoxycarbonyl)furan-3,4-diolate
CID 3453861
ethyl 8-acetyl-2-oxochromene-7-carboxylate
CID 101430630
ethyl 6-propyl-1,3-benzodioxole-5-carboxylate
CID 91664941
ethyl 5-bromo-3-(3-phenylpropyl)furan-2-carboxylate
CID 141345098
ethyl 3,4-dibutylbenzoate
CID 166060053
ethyl 4-butyl-2-oxo-7H-pyrano[2,3-c]pyrrole-5-carboxylate
CID 58455620

Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-3-propylpyran-2-carboxylate?
The IUPAC name of ethyl 6-oxo-3-propylpyran-2-carboxylate (CID 164685051) is ethyl 6-oxo-3-propylpyran-2-carboxylate.
What is the SMILES notation for ethyl 6-oxo-3-propylpyran-2-carboxylate?
The canonical SMILES for ethyl 6-oxo-3-propylpyran-2-carboxylate is CCCc1ccc(=O)oc1C(=O)OCC.
What is the InChIKey of ethyl 6-oxo-3-propylpyran-2-carboxylate?
The InChIKey is YKWXXEVSBZJGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-5-8-6-7-9(12)15-10(8)11(13)14-4-2/h6-7H,3-5H2,1-2H3.
What are the key properties of ethyl 6-oxo-3-propylpyran-2-carboxylate?
ethyl 6-oxo-3-propylpyran-2-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-3-propylpyran-2-carboxylate is sourced from PubChem (CID 164685051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).