4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;ethanol

C12H14O5 — CID 174818312

IUPAC4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;ethanol
SMILESCCO.O=C1C=CC2(CCC23C=CC(=O)O3)O1
InChIInChI=1S/C10H8O4.C2H6O/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10;1-2-3/h1-4H,5-6H2;3H,2H2,1H3
InChIKeyLTMZRUYTLHRIND-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.48
Rot. Bonds

About 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;ethanol

4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;ethanol (PubChem CID 174818312) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;ethanol.

Molecular Properties

Compound Name4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;ethanol
PubChem CID174818312
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;ethanol
SMILESCCO.O=C1C=CC2(CCC23C=CC(=O)O3)O1
InChIInChI=1S/C10H8O4.C2H6O/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10;1-2-3/h1-4H,5-6H2;3H,2H2,1H3
InChIKeyLTMZRUYTLHRIND-UHFFFAOYSA-N
XLogP0.48
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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;ethanol?
The IUPAC name of 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;ethanol (CID 174818312) is 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;ethanol.
What is the SMILES notation for 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;ethanol?
The canonical SMILES for 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;ethanol is CCO.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;ethanol?
The InChIKey is LTMZRUYTLHRIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4.C2H6O/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10;1-2-3/h1-4H,5-6H2;3H,2H2,1H3.
What are the key properties of 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;ethanol?
4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione;ethanol has a molecular weight of 238.24 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 5 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;ethanol is sourced from PubChem (CID 174818312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).