diethyl 2-(4-acetyloxy-2,5-dioxofuro[3,4-b]pyran-7-ylidene)propanedioate

C16H14O10 — CID 134919716

IUPACdiethyl 2-(4-acetyloxy-2,5-dioxofuro[3,4-b]pyran-7-ylidene)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)=C1OC(=O)c2c(OC(C)=O)cc(=O)oc21
InChIInChI=1S/C16H14O10/c1-4-22-14(19)11(15(20)23-5-2)13-12-10(16(21)26-13)8(24-7(3)17)6-9(18)25-12/h6H,4-5H2,1-3H3
InChIKeyRCANZCSEJVWPRF-UHFFFAOYSA-N
MW366.28 g/mol
LogP0.57
Rot. Bonds5

About diethyl 2-(4-acetyloxy-2,5-dioxofuro[3,4-b]pyran-7-ylidene)propanedioate

diethyl 2-(4-acetyloxy-2,5-dioxofuro[3,4-b]pyran-7-ylidene)propanedioate (PubChem CID 134919716) has the molecular formula C16H14O10 and a molecular weight of 366.28 g/mol. Its IUPAC name is diethyl 2-(4-acetyloxy-2,5-dioxofuro[3,4-b]pyran-7-ylidene)propanedioate.

Molecular Properties

Compound Namediethyl 2-(4-acetyloxy-2,5-dioxofuro[3,4-b]pyran-7-ylidene)propanedioate
PubChem CID134919716
Molecular FormulaC16H14O10
Molecular Weight366.28 g/mol
Exact Mass366.06
IUPAC Namediethyl 2-(4-acetyloxy-2,5-dioxofuro[3,4-b]pyran-7-ylidene)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)=C1OC(=O)c2c(OC(C)=O)cc(=O)oc21
InChIInChI=1S/C16H14O10/c1-4-22-14(19)11(15(20)23-5-2)13-12-10(16(21)26-13)8(24-7(3)17)6-9(18)25-12/h6H,4-5H2,1-3H3
InChIKeyRCANZCSEJVWPRF-UHFFFAOYSA-N
XLogP0.57
TPSA135.41 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-(4-acetyloxy-2,5-dioxofuro[3,4-b]pyran-7-ylidene)propanedioate?
The IUPAC name of diethyl 2-(4-acetyloxy-2,5-dioxofuro[3,4-b]pyran-7-ylidene)propanedioate (CID 134919716) is diethyl 2-(4-acetyloxy-2,5-dioxofuro[3,4-b]pyran-7-ylidene)propanedioate.
What is the SMILES notation for diethyl 2-(4-acetyloxy-2,5-dioxofuro[3,4-b]pyran-7-ylidene)propanedioate?
The canonical SMILES for diethyl 2-(4-acetyloxy-2,5-dioxofuro[3,4-b]pyran-7-ylidene)propanedioate is CCOC(=O)C(C(=O)OCC)=C1OC(=O)c2c(OC(C)=O)cc(=O)oc21.
What is the InChIKey of diethyl 2-(4-acetyloxy-2,5-dioxofuro[3,4-b]pyran-7-ylidene)propanedioate?
The InChIKey is RCANZCSEJVWPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O10/c1-4-22-14(19)11(15(20)23-5-2)13-12-10(16(21)26-13)8(24-7(3)17)6-9(18)25-12/h6H,4-5H2,1-3H3.
What are the key properties of diethyl 2-(4-acetyloxy-2,5-dioxofuro[3,4-b]pyran-7-ylidene)propanedioate?
diethyl 2-(4-acetyloxy-2,5-dioxofuro[3,4-b]pyran-7-ylidene)propanedioate has a molecular weight of 366.28 g/mol, XLogP of 0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(4-acetyloxy-2,5-dioxofuro[3,4-b]pyran-7-ylidene)propanedioate is sourced from PubChem (CID 134919716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).