1-oxaspiro[4.5]deca-6,9-diene-3,8-dione

C9H8O3 — CID 101146423

IUPAC1-oxaspiro[4.5]deca-6,9-diene-3,8-dione
SMILESO=C1C=CC2(C=C1)CC(=O)CO2
InChIInChI=1S/C9H8O3/c10-7-1-3-9(4-2-7)5-8(11)6-12-9/h1-4H,5-6H2
InChIKeyUTUNGEQXHLEXTF-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.41
Rot. Bonds

About 1-oxaspiro[4.5]deca-6,9-diene-3,8-dione

1-oxaspiro[4.5]deca-6,9-diene-3,8-dione (PubChem CID 101146423) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is 1-oxaspiro[4.5]deca-6,9-diene-3,8-dione.

Molecular Properties

Compound Name1-oxaspiro[4.5]deca-6,9-diene-3,8-dione
PubChem CID101146423
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name1-oxaspiro[4.5]deca-6,9-diene-3,8-dione
SMILESO=C1C=CC2(C=C1)CC(=O)CO2
InChIInChI=1S/C9H8O3/c10-7-1-3-9(4-2-7)5-8(11)6-12-9/h1-4H,5-6H2
InChIKeyUTUNGEQXHLEXTF-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Oxaspiro(4.5)deca-6,9-dien-8-one
CID 12412273
7-Methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 102571161
(1S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-one
CID 134987271
1,4-Dimethyl-7-oxabicyclo[2.2.1]hept-5-en-2-one
CID 14424159
4-Methyl-4-pentoxycyclopent-2-en-1-one
CID 70523363
(4E)-4-ethylidene-2,2,5,5-tetramethyloxolan-3-one
CID 129015161
2-[(4-Methyl-2-oxopentoxy)methyl]cyclohexa-2,5-diene-1,4-dione
CID 143183685
5-Methyl-6-oxabicyclo[3.1.0]hex-3-en-2-one
CID 14566517
(1R,5R)-5-methyl-6-oxabicyclo[3.1.0]hex-3-en-2-one
CID 14566518
(5R)-7-methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 100024983
(5S)-7-methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 100024985

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.5]deca-6,9-diene-3,8-dione?
The IUPAC name of 1-oxaspiro[4.5]deca-6,9-diene-3,8-dione (CID 101146423) is 1-oxaspiro[4.5]deca-6,9-diene-3,8-dione.
What is the SMILES notation for 1-oxaspiro[4.5]deca-6,9-diene-3,8-dione?
The canonical SMILES for 1-oxaspiro[4.5]deca-6,9-diene-3,8-dione is O=C1C=CC2(C=C1)CC(=O)CO2.
What is the InChIKey of 1-oxaspiro[4.5]deca-6,9-diene-3,8-dione?
The InChIKey is UTUNGEQXHLEXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c10-7-1-3-9(4-2-7)5-8(11)6-12-9/h1-4H,5-6H2.
What are the key properties of 1-oxaspiro[4.5]deca-6,9-diene-3,8-dione?
1-oxaspiro[4.5]deca-6,9-diene-3,8-dione has a molecular weight of 164.16 g/mol, XLogP of 0.41, 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-6,9-diene-3,8-dione is sourced from PubChem (CID 101146423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).