1-(2-ethoxyethoxy)spiro[3.4]octan-3-one

C12H20O3 — CID 66367213

IUPAC1-(2-ethoxyethoxy)spiro[3.4]octan-3-one
SMILESCCOCCOC1CC(=O)C12CCCC2
InChIInChI=1S/C12H20O3/c1-2-14-7-8-15-11-9-10(13)12(11)5-3-4-6-12/h11H,2-9H2,1H3
InChIKeyYAQIGWMJWXEZFN-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.94
Rot. Bonds5

About 1-(2-ethoxyethoxy)spiro[3.4]octan-3-one

1-(2-ethoxyethoxy)spiro[3.4]octan-3-one (PubChem CID 66367213) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)spiro[3.4]octan-3-one.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)spiro[3.4]octan-3-one
PubChem CID66367213
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1-(2-ethoxyethoxy)spiro[3.4]octan-3-one
SMILESCCOCCOC1CC(=O)C12CCCC2
InChIInChI=1S/C12H20O3/c1-2-14-7-8-15-11-9-10(13)12(11)5-3-4-6-12/h11H,2-9H2,1H3
InChIKeyYAQIGWMJWXEZFN-UHFFFAOYSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)spiro[3.4]octan-3-one?
The IUPAC name of 1-(2-ethoxyethoxy)spiro[3.4]octan-3-one (CID 66367213) is 1-(2-ethoxyethoxy)spiro[3.4]octan-3-one.
What is the SMILES notation for 1-(2-ethoxyethoxy)spiro[3.4]octan-3-one?
The canonical SMILES for 1-(2-ethoxyethoxy)spiro[3.4]octan-3-one is CCOCCOC1CC(=O)C12CCCC2.
What is the InChIKey of 1-(2-ethoxyethoxy)spiro[3.4]octan-3-one?
The InChIKey is YAQIGWMJWXEZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-2-14-7-8-15-11-9-10(13)12(11)5-3-4-6-12/h11H,2-9H2,1H3.
What are the key properties of 1-(2-ethoxyethoxy)spiro[3.4]octan-3-one?
1-(2-ethoxyethoxy)spiro[3.4]octan-3-one has a molecular weight of 212.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)spiro[3.4]octan-3-one is sourced from PubChem (CID 66367213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).