1-ethoxyspiro[3.5]non-1-en-3-one

C11H16O2 — CID 24974468

IUPAC1-ethoxyspiro[3.5]non-1-en-3-one
SMILESCCOC1=CC(=O)C12CCCCC2
InChIInChI=1S/C11H16O2/c1-2-13-10-8-9(12)11(10)6-4-3-5-7-11/h8H,2-7H2,1H3
InChIKeyJPBFQEGAYWNUJK-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.44
Rot. Bonds2

About 1-ethoxyspiro[3.5]non-1-en-3-one

1-ethoxyspiro[3.5]non-1-en-3-one (PubChem CID 24974468) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-ethoxyspiro[3.5]non-1-en-3-one.

Molecular Properties

Compound Name1-ethoxyspiro[3.5]non-1-en-3-one
PubChem CID24974468
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-ethoxyspiro[3.5]non-1-en-3-one
SMILESCCOC1=CC(=O)C12CCCCC2
InChIInChI=1S/C11H16O2/c1-2-13-10-8-9(12)11(10)6-4-3-5-7-11/h8H,2-7H2,1H3
InChIKeyJPBFQEGAYWNUJK-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxyspiro[3.5]non-1-en-3-one?
The IUPAC name of 1-ethoxyspiro[3.5]non-1-en-3-one (CID 24974468) is 1-ethoxyspiro[3.5]non-1-en-3-one.
What is the SMILES notation for 1-ethoxyspiro[3.5]non-1-en-3-one?
The canonical SMILES for 1-ethoxyspiro[3.5]non-1-en-3-one is CCOC1=CC(=O)C12CCCCC2.
What is the InChIKey of 1-ethoxyspiro[3.5]non-1-en-3-one?
The InChIKey is JPBFQEGAYWNUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-13-10-8-9(12)11(10)6-4-3-5-7-11/h8H,2-7H2,1H3.
What are the key properties of 1-ethoxyspiro[3.5]non-1-en-3-one?
1-ethoxyspiro[3.5]non-1-en-3-one has a molecular weight of 180.25 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyspiro[3.5]non-1-en-3-one is sourced from PubChem (CID 24974468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).