1-(1,4-dioxaspiro[4.4]non-8-en-9-yl)octan-1-one

C15H24O3 — CID 14427989

IUPAC1-(1,4-dioxaspiro[4.4]non-8-en-9-yl)octan-1-one
SMILESCCCCCCCC(=O)C1=CCCC12OCCO2
InChIInChI=1S/C15H24O3/c1-2-3-4-5-6-9-14(16)13-8-7-10-15(13)17-11-12-18-15/h8H,2-7,9-12H2,1H3
InChIKeyCJRIRVFAUYTQOE-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.38
Rot. Bonds7

About 1-(1,4-dioxaspiro[4.4]non-8-en-9-yl)octan-1-one

1-(1,4-dioxaspiro[4.4]non-8-en-9-yl)octan-1-one (PubChem CID 14427989) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.4]non-8-en-9-yl)octan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.4]non-8-en-9-yl)octan-1-one
PubChem CID14427989
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1-(1,4-dioxaspiro[4.4]non-8-en-9-yl)octan-1-one
SMILESCCCCCCCC(=O)C1=CCCC12OCCO2
InChIInChI=1S/C15H24O3/c1-2-3-4-5-6-9-14(16)13-8-7-10-15(13)17-11-12-18-15/h8H,2-7,9-12H2,1H3
InChIKeyCJRIRVFAUYTQOE-UHFFFAOYSA-N
XLogP3.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1,4-dioxaspiro[4.4]non-8-en-9-yl)octan-1-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

Gnuovzollxekjz-uhfffaoysa-
CID 11403378
Ethyl 1,4-dioxaspiro[4.5]dec-6-ene-6-carboxylate
CID 11790518
2-[2-(2-Methyl-1,3-dioxolan-2-yl)ethyl]cyclopent-2-en-1-one
CID 13675189
4,4-Dimethyl-2-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one
CID 10798503
ethyl (5E)-5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-6-oxoheptanoate
CID 10850616
Zaxhfmvingzzqx-uhfffaoysa-
CID 11150365
Methyl 8-oxo-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate
CID 11287305
1-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanone
CID 11819684
4-(2-Methoxypropan-2-yloxy)-2-[7-(2-methoxypropan-2-yloxy)heptyl]cyclopent-2-en-1-one
CID 20337163
Methyl 7-[3-(2-methoxypropan-2-yloxy)-5-oxocyclopenten-1-yl]heptanoate
CID 21413596
Ethyl 7-[3-(2-methoxypropan-2-yloxy)-5-oxocyclopenten-1-yl]heptanoate
CID 54292995
Ethyl 1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate
CID 141509796

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.4]non-8-en-9-yl)octan-1-one?
The IUPAC name of 1-(1,4-dioxaspiro[4.4]non-8-en-9-yl)octan-1-one (CID 14427989) is 1-(1,4-dioxaspiro[4.4]non-8-en-9-yl)octan-1-one.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.4]non-8-en-9-yl)octan-1-one?
The canonical SMILES for 1-(1,4-dioxaspiro[4.4]non-8-en-9-yl)octan-1-one is CCCCCCCC(=O)C1=CCCC12OCCO2.
What is the InChIKey of 1-(1,4-dioxaspiro[4.4]non-8-en-9-yl)octan-1-one?
The InChIKey is CJRIRVFAUYTQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-2-3-4-5-6-9-14(16)13-8-7-10-15(13)17-11-12-18-15/h8H,2-7,9-12H2,1H3.
What are the key properties of 1-(1,4-dioxaspiro[4.4]non-8-en-9-yl)octan-1-one?
1-(1,4-dioxaspiro[4.4]non-8-en-9-yl)octan-1-one has a molecular weight of 252.35 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.4]non-8-en-9-yl)octan-1-one is sourced from PubChem (CID 14427989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).