4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one

C14H24O3 — CID 79922076

IUPAC4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
SMILESCOCCCC(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H24O3/c1-16-9-4-5-13(15)12-6-10-17-14(11-12)7-2-3-8-14/h12H,2-11H2,1H3
InChIKeyWXEQMMDWJJBONR-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.72
Rot. Bonds5

About 4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one

4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one (PubChem CID 79922076) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one.

Molecular Properties

Compound Name4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
PubChem CID79922076
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
SMILESCOCCCC(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H24O3/c1-16-9-4-5-13(15)12-6-10-17-14(11-12)7-2-3-8-14/h12H,2-11H2,1H3
InChIKeyWXEQMMDWJJBONR-UHFFFAOYSA-N
XLogP2.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-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

4-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 105119058
2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 114032509
1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one
CID 115787777
4-chloro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 79921451
4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 105115694
1-(6-oxaspiro[4.5]decan-9-yl)-3-piperidin-4-yloxypropan-1-one
CID 116572227
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-ethoxypropan-1-one
CID 105116599
2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921956
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913745
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-one
CID 105116596
2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 116575346
1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone
CID 116589412

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one?
The IUPAC name of 4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one (CID 79922076) is 4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one.
What is the SMILES notation for 4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one?
The canonical SMILES for 4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one is COCCCC(=O)C1CCOC2(CCCC2)C1.
What is the InChIKey of 4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one?
The InChIKey is WXEQMMDWJJBONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-16-9-4-5-13(15)12-6-10-17-14(11-12)7-2-3-8-14/h12H,2-11H2,1H3.
What are the key properties of 4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one?
4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one has a molecular weight of 240.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one is sourced from PubChem (CID 79922076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).