1-oxaspiro[5.5]undeca-2,10-dien-4-one

C10H12O2 — CID 102029700

IUPAC1-oxaspiro[5.5]undeca-2,10-dien-4-one
SMILESO=C1C=COC2(C=CCCC2)C1
InChIInChI=1S/C10H12O2/c11-9-4-7-12-10(8-9)5-2-1-3-6-10/h2,4-5,7H,1,3,6,8H2
InChIKeyJWNPBHBQNOBATJ-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.97
Rot. Bonds

About 1-oxaspiro[5.5]undeca-2,10-dien-4-one

1-oxaspiro[5.5]undeca-2,10-dien-4-one (PubChem CID 102029700) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1-oxaspiro[5.5]undeca-2,10-dien-4-one.

Molecular Properties

Compound Name1-oxaspiro[5.5]undeca-2,10-dien-4-one
PubChem CID102029700
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name1-oxaspiro[5.5]undeca-2,10-dien-4-one
SMILESO=C1C=COC2(C=CCCC2)C1
InChIInChI=1S/C10H12O2/c11-9-4-7-12-10(8-9)5-2-1-3-6-10/h2,4-5,7H,1,3,6,8H2
InChIKeyJWNPBHBQNOBATJ-UHFFFAOYSA-N
XLogP1.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,6-dioxaspiro[4.5]dec-7-en-9-one
CID 13067704
(3S)-1-oxaspiro[2.5]oct-4-ene
CID 102418983
9,9-dimethyl-1-oxaspiro[5.6]dodec-2-en-4-one
CID 65087699
1-oxaspiro[2.4]hept-4-en-6-one
CID 87510958
2,2-diphenyl-3H-pyran-4-one
CID 72942613
(2S)-2-methyl-4-oxo-3H-pyran-2-carboxylic acid
CID 90471039
5-oxaspiro[3.5]non-8-ene
CID 66602357
7,13-dioxadispiro[4.0.56.35]tetradeca-2,8-diene-10,14-dione
CID 134856266
2-(methoxymethyl)-2-methyl-3H-pyran-4-one
CID 16749756
spiro[4.5]dec-3-en-2-one;hydrochloride
CID 20548247
2,8-dihydrooxocin-5-one
CID 91090210
1-azaspiro[4.5]dec-6-en-2-one
CID 101440491

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[5.5]undeca-2,10-dien-4-one?
The IUPAC name of 1-oxaspiro[5.5]undeca-2,10-dien-4-one (CID 102029700) is 1-oxaspiro[5.5]undeca-2,10-dien-4-one.
What is the SMILES notation for 1-oxaspiro[5.5]undeca-2,10-dien-4-one?
The canonical SMILES for 1-oxaspiro[5.5]undeca-2,10-dien-4-one is O=C1C=COC2(C=CCCC2)C1.
What is the InChIKey of 1-oxaspiro[5.5]undeca-2,10-dien-4-one?
The InChIKey is JWNPBHBQNOBATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c11-9-4-7-12-10(8-9)5-2-1-3-6-10/h2,4-5,7H,1,3,6,8H2.
What are the key properties of 1-oxaspiro[5.5]undeca-2,10-dien-4-one?
1-oxaspiro[5.5]undeca-2,10-dien-4-one has a molecular weight of 164.20 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[5.5]undeca-2,10-dien-4-one is sourced from PubChem (CID 102029700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).