6H-cyclohepta[c]furan-1,3-dione;(3E,4E)-3-ethylidene-4-prop-2-enylideneoxolane-2,5-dione;methoxymethane

C20H20O7 — CID 143036389

IUPAC6H-cyclohepta[c]furan-1,3-dione;(3E,4E)-3-ethylidene-4-prop-2-enylideneoxolane-2,5-dione;methoxymethane
SMILESC=C/C=C1/C(=O)OC(=O)/C1=C/C.COC.O=C1OC(=O)C2=C1C=CCC=C2
InChIInChI=1S/C9H6O3.C9H8O3.C2H6O/c10-8-6-4-2-1-3-5-7(6)9(11)12-8;1-3-5-7-6(4-2)8(10)12-9(7)11;1-3-2/h2-5H,1H2;3-5H,1H2,2H3;1-2H3/b;6-4+,7-5+;
InChIKeyLVUOVYWWHDNCNI-NNBDHBSNSA-N
MW372.37 g/mol
LogP2.27
Rot. Bonds1

About 6H-cyclohepta[c]furan-1,3-dione;(3E,4E)-3-ethylidene-4-prop-2-enylideneoxolane-2,5-dione;methoxymethane

6H-cyclohepta[c]furan-1,3-dione;(3E,4E)-3-ethylidene-4-prop-2-enylideneoxolane-2,5-dione;methoxymethane (PubChem CID 143036389) has the molecular formula C20H20O7 and a molecular weight of 372.37 g/mol. Its IUPAC name is 6H-cyclohepta[c]furan-1,3-dione;(3E,4E)-3-ethylidene-4-prop-2-enylideneoxolane-2,5-dione;methoxymethane.

Molecular Properties

Compound Name6H-cyclohepta[c]furan-1,3-dione;(3E,4E)-3-ethylidene-4-prop-2-enylideneoxolane-2,5-dione;methoxymethane
PubChem CID143036389
Molecular FormulaC20H20O7
Molecular Weight372.37 g/mol
Exact Mass372.12
IUPAC Name6H-cyclohepta[c]furan-1,3-dione;(3E,4E)-3-ethylidene-4-prop-2-enylideneoxolane-2,5-dione;methoxymethane
SMILESC=C/C=C1/C(=O)OC(=O)/C1=C/C.COC.O=C1OC(=O)C2=C1C=CCC=C2
InChIInChI=1S/C9H6O3.C9H8O3.C2H6O/c10-8-6-4-2-1-3-5-7(6)9(11)12-8;1-3-5-7-6(4-2)8(10)12-9(7)11;1-3-2/h2-5H,1H2;3-5H,1H2,2H3;1-2H3/b;6-4+,7-5+;
InChIKeyLVUOVYWWHDNCNI-NNBDHBSNSA-N
XLogP2.27
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6H-cyclohepta[c]furan-1,3-dione;(3E,4E)-3-ethylidene-4-prop-2-enylideneoxolane-2,5-dione;methoxymethane?
The IUPAC name of 6H-cyclohepta[c]furan-1,3-dione;(3E,4E)-3-ethylidene-4-prop-2-enylideneoxolane-2,5-dione;methoxymethane (CID 143036389) is 6H-cyclohepta[c]furan-1,3-dione;(3E,4E)-3-ethylidene-4-prop-2-enylideneoxolane-2,5-dione;methoxymethane.
What is the SMILES notation for 6H-cyclohepta[c]furan-1,3-dione;(3E,4E)-3-ethylidene-4-prop-2-enylideneoxolane-2,5-dione;methoxymethane?
The canonical SMILES for 6H-cyclohepta[c]furan-1,3-dione;(3E,4E)-3-ethylidene-4-prop-2-enylideneoxolane-2,5-dione;methoxymethane is C=C/C=C1/C(=O)OC(=O)/C1=C/C.COC.O=C1OC(=O)C2=C1C=CCC=C2.
What is the InChIKey of 6H-cyclohepta[c]furan-1,3-dione;(3E,4E)-3-ethylidene-4-prop-2-enylideneoxolane-2,5-dione;methoxymethane?
The InChIKey is LVUOVYWWHDNCNI-NNBDHBSNSA-N. The full InChI is InChI=1S/C9H6O3.C9H8O3.C2H6O/c10-8-6-4-2-1-3-5-7(6)9(11)12-8;1-3-5-7-6(4-2)8(10)12-9(7)11;1-3-2/h2-5H,1H2;3-5H,1H2,2H3;1-2H3/b;6-4+,7-5+;.
What are the key properties of 6H-cyclohepta[c]furan-1,3-dione;(3E,4E)-3-ethylidene-4-prop-2-enylideneoxolane-2,5-dione;methoxymethane?
6H-cyclohepta[c]furan-1,3-dione;(3E,4E)-3-ethylidene-4-prop-2-enylideneoxolane-2,5-dione;methoxymethane has a molecular weight of 372.37 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-cyclohepta[c]furan-1,3-dione;(3E,4E)-3-ethylidene-4-prop-2-enylideneoxolane-2,5-dione;methoxymethane is sourced from PubChem (CID 143036389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).