1-oxaspiro[5.6]dodeca-3,8-diene-2,5-dione

C11H12O3 — CID 101465610

IUPAC1-oxaspiro[5.6]dodeca-3,8-diene-2,5-dione
SMILESO=C1C=CC(=O)C2(CC=CCCC2)O1
InChIInChI=1S/C11H12O3/c12-9-5-6-10(13)14-11(9)7-3-1-2-4-8-11/h1,3,5-6H,2,4,7-8H2
InChIKeySHGRSBNGEFJQCD-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.54
Rot. Bonds

About 1-oxaspiro[5.6]dodeca-3,8-diene-2,5-dione

1-oxaspiro[5.6]dodeca-3,8-diene-2,5-dione (PubChem CID 101465610) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 1-oxaspiro[5.6]dodeca-3,8-diene-2,5-dione.

Molecular Properties

Compound Name1-oxaspiro[5.6]dodeca-3,8-diene-2,5-dione
PubChem CID101465610
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name1-oxaspiro[5.6]dodeca-3,8-diene-2,5-dione
SMILESO=C1C=CC(=O)C2(CC=CCCC2)O1
InChIInChI=1S/C11H12O3/c12-9-5-6-10(13)14-11(9)7-3-1-2-4-8-11/h1,3,5-6H,2,4,7-8H2
InChIKeySHGRSBNGEFJQCD-UHFFFAOYSA-N
XLogP1.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-6-allyl-2-acetoxy-cyclohexadienon
CID 129630020
2,6-Diallyl-2-acetoxy-cyclohexadienon
CID 129630025
(1-Hexyl-6-oxocyclohexa-2,4-dien-1-yl) acetate
CID 134994779
6-Methyl-6-(2-methylpropyl)pyran-2,5-dione
CID 135075805
Bicyclo[3.2.2]nona-3,6-dien-2-one, 1-methoxy-
CID 572732
(1R,5R)-1-methoxybicyclo[3.2.2]nona-3,6-dien-2-one
CID 130906183
7-Methylidene-6-oxaspiro[4.5]dec-8-en-10-one
CID 20695160
5-Acetyl-5-(2-methylprop-2-enyl)furan-2-one
CID 89028606
(1-Methyl-2-oxocyclohex-3-en-1-yl) acetate
CID 132085062
1-Oxaspiro[5.5]undec-3-ene-2,5-dione
CID 10888516
1-Oxaspiro[4.5]deca-3,7-diene-2,6-dione
CID 15059655
1-(3-Butenyl)-6-oxo-2,4-cyclohexadien-1-yl acetate
CID 24971612

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[5.6]dodeca-3,8-diene-2,5-dione?
The IUPAC name of 1-oxaspiro[5.6]dodeca-3,8-diene-2,5-dione (CID 101465610) is 1-oxaspiro[5.6]dodeca-3,8-diene-2,5-dione.
What is the SMILES notation for 1-oxaspiro[5.6]dodeca-3,8-diene-2,5-dione?
The canonical SMILES for 1-oxaspiro[5.6]dodeca-3,8-diene-2,5-dione is O=C1C=CC(=O)C2(CC=CCCC2)O1.
What is the InChIKey of 1-oxaspiro[5.6]dodeca-3,8-diene-2,5-dione?
The InChIKey is SHGRSBNGEFJQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-9-5-6-10(13)14-11(9)7-3-1-2-4-8-11/h1,3,5-6H,2,4,7-8H2.
What are the key properties of 1-oxaspiro[5.6]dodeca-3,8-diene-2,5-dione?
1-oxaspiro[5.6]dodeca-3,8-diene-2,5-dione has a molecular weight of 192.21 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[5.6]dodeca-3,8-diene-2,5-dione is sourced from PubChem (CID 101465610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).