1-ethoxyspiro[3.4]oct-1-en-3-one

C10H14O2 — CID 24858308

IUPAC1-ethoxyspiro[3.4]oct-1-en-3-one
SMILESCCOC1=CC(=O)C12CCCC2
InChIInChI=1S/C10H14O2/c1-2-12-9-7-8(11)10(9)5-3-4-6-10/h7H,2-6H2,1H3
InChIKeySSYKUMFYBFNJQH-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.05
Rot. Bonds2

About 1-ethoxyspiro[3.4]oct-1-en-3-one

1-ethoxyspiro[3.4]oct-1-en-3-one (PubChem CID 24858308) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-ethoxyspiro[3.4]oct-1-en-3-one.

Molecular Properties

Compound Name1-ethoxyspiro[3.4]oct-1-en-3-one
PubChem CID24858308
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-ethoxyspiro[3.4]oct-1-en-3-one
SMILESCCOC1=CC(=O)C12CCCC2
InChIInChI=1S/C10H14O2/c1-2-12-9-7-8(11)10(9)5-3-4-6-10/h7H,2-6H2,1H3
InChIKeySSYKUMFYBFNJQH-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxyspiro[3.4]oct-1-en-3-one?
The IUPAC name of 1-ethoxyspiro[3.4]oct-1-en-3-one (CID 24858308) is 1-ethoxyspiro[3.4]oct-1-en-3-one.
What is the SMILES notation for 1-ethoxyspiro[3.4]oct-1-en-3-one?
The canonical SMILES for 1-ethoxyspiro[3.4]oct-1-en-3-one is CCOC1=CC(=O)C12CCCC2.
What is the InChIKey of 1-ethoxyspiro[3.4]oct-1-en-3-one?
The InChIKey is SSYKUMFYBFNJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-12-9-7-8(11)10(9)5-3-4-6-10/h7H,2-6H2,1H3.
What are the key properties of 1-ethoxyspiro[3.4]oct-1-en-3-one?
1-ethoxyspiro[3.4]oct-1-en-3-one has a molecular weight of 166.22 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyspiro[3.4]oct-1-en-3-one is sourced from PubChem (CID 24858308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).