2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one

C13H22O3 — CID 79922091

IUPAC2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
SMILESCOC(C)(C)C(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H22O3/c1-12(2,15-3)11(14)10-5-8-16-13(9-10)6-4-7-13/h10H,4-9H2,1-3H3
InChIKeyAOHOFOWXMGBEKM-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.33
Rot. Bonds3

About 2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one

2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one (PubChem CID 79922091) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one.

Molecular Properties

Compound Name2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
PubChem CID79922091
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
SMILESCOC(C)(C)C(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H22O3/c1-12(2,15-3)11(14)10-5-8-16-13(9-10)6-4-7-13/h10H,4-9H2,1-3H3
InChIKeyAOHOFOWXMGBEKM-UHFFFAOYSA-N
XLogP2.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one?
The IUPAC name of 2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one (CID 79922091) is 2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one.
What is the SMILES notation for 2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one?
The canonical SMILES for 2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one is COC(C)(C)C(=O)C1CCOC2(CCC2)C1.
What is the InChIKey of 2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one?
The InChIKey is AOHOFOWXMGBEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-12(2,15-3)11(14)10-5-8-16-13(9-10)6-4-7-13/h10H,4-9H2,1-3H3.
What are the key properties of 2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one?
2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one has a molecular weight of 226.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one is sourced from PubChem (CID 79922091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).