1-ethoxy-5-oxaspiro[3.4]octan-3-one

C9H14O3 — CID 71758661

IUPAC1-ethoxy-5-oxaspiro[3.4]octan-3-one
SMILESCCOC1CC(=O)C12CCCO2
InChIInChI=1S/C9H14O3/c1-2-11-8-6-7(10)9(8)4-3-5-12-9/h8H,2-6H2,1H3
InChIKeyGSYAMIGDGVVWAF-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.91
Rot. Bonds2

About 1-ethoxy-5-oxaspiro[3.4]octan-3-one

1-ethoxy-5-oxaspiro[3.4]octan-3-one (PubChem CID 71758661) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-ethoxy-5-oxaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name1-ethoxy-5-oxaspiro[3.4]octan-3-one
PubChem CID71758661
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name1-ethoxy-5-oxaspiro[3.4]octan-3-one
SMILESCCOC1CC(=O)C12CCCO2
InChIInChI=1S/C9H14O3/c1-2-11-8-6-7(10)9(8)4-3-5-12-9/h8H,2-6H2,1H3
InChIKeyGSYAMIGDGVVWAF-UHFFFAOYSA-N
XLogP0.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-5-oxaspiro[3.4]octan-3-one?
The IUPAC name of 1-ethoxy-5-oxaspiro[3.4]octan-3-one (CID 71758661) is 1-ethoxy-5-oxaspiro[3.4]octan-3-one.
What is the SMILES notation for 1-ethoxy-5-oxaspiro[3.4]octan-3-one?
The canonical SMILES for 1-ethoxy-5-oxaspiro[3.4]octan-3-one is CCOC1CC(=O)C12CCCO2.
What is the InChIKey of 1-ethoxy-5-oxaspiro[3.4]octan-3-one?
The InChIKey is GSYAMIGDGVVWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-11-8-6-7(10)9(8)4-3-5-12-9/h8H,2-6H2,1H3.
What are the key properties of 1-ethoxy-5-oxaspiro[3.4]octan-3-one?
1-ethoxy-5-oxaspiro[3.4]octan-3-one has a molecular weight of 170.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-5-oxaspiro[3.4]octan-3-one is sourced from PubChem (CID 71758661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).