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

C12H20O3 — CID 79921161

IUPAC2-ethoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
SMILESCCOCC(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C12H20O3/c1-2-14-9-11(13)10-4-7-15-12(8-10)5-3-6-12/h10H,2-9H2,1H3
InChIKeyDPOREVIKUDDJMS-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.94
Rot. Bonds4

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

2-ethoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone (PubChem CID 79921161) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-ethoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone.

Molecular Properties

Compound Name2-ethoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
PubChem CID79921161
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-ethoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
SMILESCCOCC(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C12H20O3/c1-2-14-9-11(13)10-4-7-15-12(8-10)5-3-6-12/h10H,2-9H2,1H3
InChIKeyDPOREVIKUDDJMS-UHFFFAOYSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
The IUPAC name of 2-ethoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone (CID 79921161) is 2-ethoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone.
What is the SMILES notation for 2-ethoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
The canonical SMILES for 2-ethoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone is CCOCC(=O)C1CCOC2(CCC2)C1.
What is the InChIKey of 2-ethoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
The InChIKey is DPOREVIKUDDJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-2-14-9-11(13)10-4-7-15-12(8-10)5-3-6-12/h10H,2-9H2,1H3.
What are the key properties of 2-ethoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
2-ethoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone has a molecular weight of 212.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone is sourced from PubChem (CID 79921161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).