2-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone

C11H18O3 — CID 79913019

IUPAC2-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
SMILESCOCC(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C11H18O3/c1-13-8-10(12)9-3-6-14-11(7-9)4-2-5-11/h9H,2-8H2,1H3
InChIKeyIHQQPFYDJXFXNW-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.55
Rot. Bonds3

About 2-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone

2-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone (PubChem CID 79913019) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
PubChem CID79913019
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
SMILESCOCC(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C11H18O3/c1-13-8-10(12)9-3-6-14-11(7-9)4-2-5-11/h9H,2-8H2,1H3
InChIKeyIHQQPFYDJXFXNW-UHFFFAOYSA-N
XLogP1.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
The IUPAC name of 2-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone (CID 79913019) is 2-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone is COCC(=O)C1CCOC2(CCC2)C1.
What is the InChIKey of 2-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
The InChIKey is IHQQPFYDJXFXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-13-8-10(12)9-3-6-14-11(7-9)4-2-5-11/h9H,2-8H2,1H3.
What are the key properties of 2-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
2-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone has a molecular weight of 198.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone is sourced from PubChem (CID 79913019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).