4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;5-methylidenefuran-2-one

C15H12O6 — CID 166759313

IUPAC4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;5-methylidenefuran-2-one
SMILESC=C1C=CC(=O)O1.O=C1C=CC2(CCC23C=CC(=O)O3)O1
InChIInChI=1S/C10H8O4.C5H4O2/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10;1-4-2-3-5(6)7-4/h1-4H,5-6H2;2-3H,1H2
InChIKeyAQNBWJAQTCWQNZ-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.10
Rot. Bonds

About 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;5-methylidenefuran-2-one

4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;5-methylidenefuran-2-one (PubChem CID 166759313) has the molecular formula C15H12O6 and a molecular weight of 288.26 g/mol. Its IUPAC name is 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;5-methylidenefuran-2-one.

Molecular Properties

Compound Name4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;5-methylidenefuran-2-one
PubChem CID166759313
Molecular FormulaC15H12O6
Molecular Weight288.26 g/mol
Exact Mass288.06
IUPAC Name4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;5-methylidenefuran-2-one
SMILESC=C1C=CC(=O)O1.O=C1C=CC2(CCC23C=CC(=O)O3)O1
InChIInChI=1S/C10H8O4.C5H4O2/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10;1-4-2-3-5(6)7-4/h1-4H,5-6H2;2-3H,1H2
InChIKeyAQNBWJAQTCWQNZ-UHFFFAOYSA-N
XLogP1.10
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;5-methylidenefuran-2-one?
The IUPAC name of 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;5-methylidenefuran-2-one (CID 166759313) is 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;5-methylidenefuran-2-one.
What is the SMILES notation for 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;5-methylidenefuran-2-one?
The canonical SMILES for 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;5-methylidenefuran-2-one is C=C1C=CC(=O)O1.O=C1C=CC2(CCC23C=CC(=O)O3)O1.
What is the InChIKey of 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;5-methylidenefuran-2-one?
The InChIKey is AQNBWJAQTCWQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4.C5H4O2/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10;1-4-2-3-5(6)7-4/h1-4H,5-6H2;2-3H,1H2.
What are the key properties of 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;5-methylidenefuran-2-one?
4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;5-methylidenefuran-2-one has a molecular weight of 288.26 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;5-methylidenefuran-2-one is sourced from PubChem (CID 166759313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).