1-oxaspiro[4.5]dec-2-ene-4,8-dione

C9H10O3 — CID 68715013

IUPAC1-oxaspiro[4.5]dec-2-ene-4,8-dione
SMILESO=C1CCC2(CC1)OC=CC2=O
InChIInChI=1S/C9H10O3/c10-7-1-4-9(5-2-7)8(11)3-6-12-9/h3,6H,1-2,4-5H2
InChIKeyCBSDNDMJUUHZIW-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.98
Rot. Bonds

About 1-oxaspiro[4.5]dec-2-ene-4,8-dione

1-oxaspiro[4.5]dec-2-ene-4,8-dione (PubChem CID 68715013) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-oxaspiro[4.5]dec-2-ene-4,8-dione.

Molecular Properties

Compound Name1-oxaspiro[4.5]dec-2-ene-4,8-dione
PubChem CID68715013
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name1-oxaspiro[4.5]dec-2-ene-4,8-dione
SMILESO=C1CCC2(CC1)OC=CC2=O
InChIInChI=1S/C9H10O3/c10-7-1-4-9(5-2-7)8(11)3-6-12-9/h3,6H,1-2,4-5H2
InChIKeyCBSDNDMJUUHZIW-UHFFFAOYSA-N
XLogP0.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 567415
3-phenyl-1-oxa-3-azaspiro[4.5]decane-2,4,8-trione
CID 15497951
4,4,7,7-tetramethylcyclononan-1-one
CID 21241719
3-methoxyspiro[3,4-dihydroisochromene-1,4'-cyclohexane]-1'-one
CID 138958425
spiro[3.5]nonane-2,7-dione
CID 130028978
spiro[5.5]undeca-1,4-dien-9-one
CID 89061769
2-(1-bromoethyl)-2-methylfuran-3-one
CID 14226253
1-azaspiro[2.5]octan-6-one
CID 141436270
2,2-diphenyl-3H-pyran-4-one
CID 72942613
4-ethyl-4-phenylcyclohexan-1-one
CID 71029419

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.5]dec-2-ene-4,8-dione?
The IUPAC name of 1-oxaspiro[4.5]dec-2-ene-4,8-dione (CID 68715013) is 1-oxaspiro[4.5]dec-2-ene-4,8-dione.
What is the SMILES notation for 1-oxaspiro[4.5]dec-2-ene-4,8-dione?
The canonical SMILES for 1-oxaspiro[4.5]dec-2-ene-4,8-dione is O=C1CCC2(CC1)OC=CC2=O.
What is the InChIKey of 1-oxaspiro[4.5]dec-2-ene-4,8-dione?
The InChIKey is CBSDNDMJUUHZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-7-1-4-9(5-2-7)8(11)3-6-12-9/h3,6H,1-2,4-5H2.
What are the key properties of 1-oxaspiro[4.5]dec-2-ene-4,8-dione?
1-oxaspiro[4.5]dec-2-ene-4,8-dione has a molecular weight of 166.18 g/mol, XLogP of 0.98, 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]dec-2-ene-4,8-dione is sourced from PubChem (CID 68715013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).