ethyl 6-methyl-4,8-dioxopyrano[3,4-b]pyran-2-carboxylate

C12H10O6 — CID 11736801

IUPACethyl 6-methyl-4,8-dioxopyrano[3,4-b]pyran-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2cc(C)oc(=O)c2o1
InChIInChI=1S/C12H10O6/c1-3-16-11(14)9-5-8(13)7-4-6(2)17-12(15)10(7)18-9/h4-5H,3H2,1-2H3
InChIKeyFMGHEBALCXNHPO-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.23
Rot. Bonds2

About ethyl 6-methyl-4,8-dioxopyrano[3,4-b]pyran-2-carboxylate

ethyl 6-methyl-4,8-dioxopyrano[3,4-b]pyran-2-carboxylate (PubChem CID 11736801) has the molecular formula C12H10O6 and a molecular weight of 250.21 g/mol. Its IUPAC name is ethyl 6-methyl-4,8-dioxopyrano[3,4-b]pyran-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4,8-dioxopyrano[3,4-b]pyran-2-carboxylate
PubChem CID11736801
Molecular FormulaC12H10O6
Molecular Weight250.21 g/mol
Exact Mass250.05
IUPAC Nameethyl 6-methyl-4,8-dioxopyrano[3,4-b]pyran-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2cc(C)oc(=O)c2o1
InChIInChI=1S/C12H10O6/c1-3-16-11(14)9-5-8(13)7-4-6(2)17-12(15)10(7)18-9/h4-5H,3H2,1-2H3
InChIKeyFMGHEBALCXNHPO-UHFFFAOYSA-N
XLogP1.23
TPSA86.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-4,8-dioxopyrano[3,4-b]pyran-2-carboxylate?
The IUPAC name of ethyl 6-methyl-4,8-dioxopyrano[3,4-b]pyran-2-carboxylate (CID 11736801) is ethyl 6-methyl-4,8-dioxopyrano[3,4-b]pyran-2-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4,8-dioxopyrano[3,4-b]pyran-2-carboxylate?
The canonical SMILES for ethyl 6-methyl-4,8-dioxopyrano[3,4-b]pyran-2-carboxylate is CCOC(=O)c1cc(=O)c2cc(C)oc(=O)c2o1.
What is the InChIKey of ethyl 6-methyl-4,8-dioxopyrano[3,4-b]pyran-2-carboxylate?
The InChIKey is FMGHEBALCXNHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O6/c1-3-16-11(14)9-5-8(13)7-4-6(2)17-12(15)10(7)18-9/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 6-methyl-4,8-dioxopyrano[3,4-b]pyran-2-carboxylate?
ethyl 6-methyl-4,8-dioxopyrano[3,4-b]pyran-2-carboxylate has a molecular weight of 250.21 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4,8-dioxopyrano[3,4-b]pyran-2-carboxylate is sourced from PubChem (CID 11736801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).