1,6-dioxaspiro[4.5]dec-7-en-9-one

C8H10O3 — CID 13067704

IUPAC1,6-dioxaspiro[4.5]dec-7-en-9-one
SMILESO=C1C=COC2(CCCO2)C1
InChIInChI=1S/C8H10O3/c9-7-2-5-11-8(6-7)3-1-4-10-8/h2,5H,1,3-4,6H2
InChIKeySCUHTQNNLHUCEK-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.00
Rot. Bonds

About 1,6-dioxaspiro[4.5]dec-7-en-9-one

1,6-dioxaspiro[4.5]dec-7-en-9-one (PubChem CID 13067704) has the molecular formula C8H10O3 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1,6-dioxaspiro[4.5]dec-7-en-9-one.

Molecular Properties

Compound Name1,6-dioxaspiro[4.5]dec-7-en-9-one
PubChem CID13067704
Molecular FormulaC8H10O3
Molecular Weight154.17 g/mol
Exact Mass154.06
IUPAC Name1,6-dioxaspiro[4.5]dec-7-en-9-one
SMILESO=C1C=COC2(CCCO2)C1
InChIInChI=1S/C8H10O3/c9-7-2-5-11-8(6-7)3-1-4-10-8/h2,5H,1,3-4,6H2
InChIKeySCUHTQNNLHUCEK-UHFFFAOYSA-N
XLogP1.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,6-dioxaspiro[4.5]dec-7-en-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[3-[[(1S)-1-methoxyethoxy]methoxy]propyl]-2,3-dihydropyran-4-one
CID 125508526
2-Methyl-1,6-dioxaspiro[4.5]dec-7-en-9-one
CID 13067705
4-Methyl-1,6-dioxaspiro[4.5]dec-7-en-9-one
CID 13067706
(5S)-1,6-dioxaspiro[4.5]dec-7-en-9-one
CID 102061126

Frequently Asked Questions

What is the IUPAC name of 1,6-dioxaspiro[4.5]dec-7-en-9-one?
The IUPAC name of 1,6-dioxaspiro[4.5]dec-7-en-9-one (CID 13067704) is 1,6-dioxaspiro[4.5]dec-7-en-9-one.
What is the SMILES notation for 1,6-dioxaspiro[4.5]dec-7-en-9-one?
The canonical SMILES for 1,6-dioxaspiro[4.5]dec-7-en-9-one is O=C1C=COC2(CCCO2)C1.
What is the InChIKey of 1,6-dioxaspiro[4.5]dec-7-en-9-one?
The InChIKey is SCUHTQNNLHUCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-7-2-5-11-8(6-7)3-1-4-10-8/h2,5H,1,3-4,6H2.
What are the key properties of 1,6-dioxaspiro[4.5]dec-7-en-9-one?
1,6-dioxaspiro[4.5]dec-7-en-9-one has a molecular weight of 154.17 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dioxaspiro[4.5]dec-7-en-9-one is sourced from PubChem (CID 13067704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).