1-oxaspiro[4.5]dec-3-en-6-one

C9H12O2 — CID 14102934

IUPAC1-oxaspiro[4.5]dec-3-en-6-one
SMILESO=C1CCCCC12C=CCO2
InChIInChI=1S/C9H12O2/c10-8-4-1-2-5-9(8)6-3-7-11-9/h3,6H,1-2,4-5,7H2
InChIKeySJKGSJOAKSGVDK-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.45
Rot. Bonds

About 1-oxaspiro[4.5]dec-3-en-6-one

1-oxaspiro[4.5]dec-3-en-6-one (PubChem CID 14102934) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-oxaspiro[4.5]dec-3-en-6-one.

Molecular Properties

Compound Name1-oxaspiro[4.5]dec-3-en-6-one
PubChem CID14102934
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1-oxaspiro[4.5]dec-3-en-6-one
SMILESO=C1CCCCC12C=CCO2
InChIInChI=1S/C9H12O2/c10-8-4-1-2-5-9(8)6-3-7-11-9/h3,6H,1-2,4-5,7H2
InChIKeySJKGSJOAKSGVDK-UHFFFAOYSA-N
XLogP1.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.45
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-Oxaspiro[4.5]dec-3-en-8-one
CID 165941547
1-Methoxybicyclo[2.2.2]oct-5-en-2-one
CID 377223
(1R,4S)-1-methoxybicyclo[2.2.2]oct-5-en-2-one
CID 11286573
(5R)-1-oxaspiro[4.4]non-3-en-9-one
CID 101093124
1-(6-Methyl-2,5-dihydropyran-6-yl)pent-4-en-1-one
CID 10607470
2-Ethenyl-2-ethoxycyclohexan-1-one
CID 141401591
Cyclohexyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone
CID 150802725
(1S,4R)-1-Methoxybicyclo[2.2.2]oct-5-en-2-one
CID 11073607
(1S,4S)-1-methoxybicyclo[2.2.2]oct-5-en-2-one
CID 12614052
(1R,4R)-1-methoxybicyclo[2.2.2]oct-5-en-2-one
CID 12614053
(5S)-1-oxaspiro[4.4]non-3-en-9-one
CID 15891652
1-Oxaspiro[4.4]non-3-en-9-one
CID 15891653

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.5]dec-3-en-6-one?
The IUPAC name of 1-oxaspiro[4.5]dec-3-en-6-one (CID 14102934) is 1-oxaspiro[4.5]dec-3-en-6-one.
What is the SMILES notation for 1-oxaspiro[4.5]dec-3-en-6-one?
The canonical SMILES for 1-oxaspiro[4.5]dec-3-en-6-one is O=C1CCCCC12C=CCO2.
What is the InChIKey of 1-oxaspiro[4.5]dec-3-en-6-one?
The InChIKey is SJKGSJOAKSGVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-8-4-1-2-5-9(8)6-3-7-11-9/h3,6H,1-2,4-5,7H2.
What are the key properties of 1-oxaspiro[4.5]dec-3-en-6-one?
1-oxaspiro[4.5]dec-3-en-6-one has a molecular weight of 152.19 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.5]dec-3-en-6-one is sourced from PubChem (CID 14102934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).