1-oxaspiro[4.5]deca-3,7-diene-2,6-dione

C9H8O3 — CID 15059655

IUPAC1-oxaspiro[4.5]deca-3,7-diene-2,6-dione
SMILESO=C1C=CC2(CCC=CC2=O)O1
InChIInChI=1S/C9H8O3/c10-7-3-1-2-5-9(7)6-4-8(11)12-9/h1,3-4,6H,2,5H2
InChIKeyNVBHLXJXKHYQBC-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.76
Rot. Bonds

About 1-oxaspiro[4.5]deca-3,7-diene-2,6-dione

1-oxaspiro[4.5]deca-3,7-diene-2,6-dione (PubChem CID 15059655) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is 1-oxaspiro[4.5]deca-3,7-diene-2,6-dione.

Molecular Properties

Compound Name1-oxaspiro[4.5]deca-3,7-diene-2,6-dione
PubChem CID15059655
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name1-oxaspiro[4.5]deca-3,7-diene-2,6-dione
SMILESO=C1C=CC2(CCC=CC2=O)O1
InChIInChI=1S/C9H8O3/c10-7-3-1-2-5-9(7)6-4-8(11)12-9/h1,3-4,6H,2,5H2
InChIKeyNVBHLXJXKHYQBC-UHFFFAOYSA-N
XLogP0.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1,2,5-Trimethyl-6-oxocyclohexa-2,4-dien-1-yl) acetate
CID 12169751
1,5-Dimethyl-6-oxocyclohexa-2,4-dien-1-yl acetate
CID 12351074
6-Ethyl-6-methylpyran-2,5-dione
CID 18365712
2-Allyl-2-acetoxy-cyclohexadienon
CID 12248392
6-Oxo-1-(propan-2-yl)cyclohexa-2,4-dien-1-yl acetate
CID 71380227
2-Methyl-6-allyl-2-acetoxy-cyclohexadienon
CID 129630020
2,6-Diallyl-2-acetoxy-cyclohexadienon
CID 129630025
1-Oxaspiro[4.5]deca-7,9-diene-2,6-dione
CID 130031433
6-Methyl-6-propan-2-ylpyran-2,5-dione
CID 135075553
6-Methyl-6-(2-methylpropyl)pyran-2,5-dione
CID 135075805
[(1S)-1-cyclopropyl-6-oxocyclohexa-2,4-dien-1-yl] acetate
CID 639373
1-Oxaspiro[4.5]deca-3,7-dien-2-one
CID 13056788

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.5]deca-3,7-diene-2,6-dione?
The IUPAC name of 1-oxaspiro[4.5]deca-3,7-diene-2,6-dione (CID 15059655) is 1-oxaspiro[4.5]deca-3,7-diene-2,6-dione.
What is the SMILES notation for 1-oxaspiro[4.5]deca-3,7-diene-2,6-dione?
The canonical SMILES for 1-oxaspiro[4.5]deca-3,7-diene-2,6-dione is O=C1C=CC2(CCC=CC2=O)O1.
What is the InChIKey of 1-oxaspiro[4.5]deca-3,7-diene-2,6-dione?
The InChIKey is NVBHLXJXKHYQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c10-7-3-1-2-5-9(7)6-4-8(11)12-9/h1,3-4,6H,2,5H2.
What are the key properties of 1-oxaspiro[4.5]deca-3,7-diene-2,6-dione?
1-oxaspiro[4.5]deca-3,7-diene-2,6-dione has a molecular weight of 164.16 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.5]deca-3,7-diene-2,6-dione is sourced from PubChem (CID 15059655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).